4-[(E)-3-[3-chloranyl-4-[2-chloranyl-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]-N-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[(E)-3-[3-chloranyl-4-[2-chloranyl-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]-N-methyl-piperazine-1-carboxamide Openeye Name: 4-[(E)-3-[3-chloro-4-[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-(methylcarbamoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]-N-methyl-piperazine-1-carboxamide CAS Name: 4-[(E)-3-[3-chloro-4-[[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-(methylcarbamoyl)-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]thio]-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]-1-oxoprop-2-enyl]-N-methyl-1-piperazinecarboxamide IUPAC Name: 4-[(E)-3-[3-chloro-4-[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-(methylcarbamoyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]-N-methylpiperazine-1-carboxamide Traditional Name: 4-[(E)-3-[3-chloro-4-[[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-keto-3-[4-(methylcarbamoyl)piperazino]prop-1-enyl]phenyl]thio]-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]acryloyl]-N-methyl-piperazine-1-carboxamide Formula: C46H46Cl2N6O8S MolecularWeight: 913.86384

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCN(CC1)C(=O)C=CC2=C(C(=C(C=C2)SC3=C(C(=C(C=C3)C=CC(=O)N4CCN(CC4)C(=O)NC)C5=CC6=C(C=C5)OOCC6)Cl)Cl)C7=CC8=C(C=C7)OOCC8

Isomeric SMILES

CNC(=O)N1CCN(CC1)C(=O)/C=C/C2=C(C(=C(C=C2)SC3=C(C(=C(C=C3)/C=C/C(=O)N4CCN(CC4)C(=O)NC)C5=CC6=C(OOCC6)C=C5)Cl)Cl)C7=CC8=C(OOCC8)C=C7

InChI

InChI=1S/C46H46Cl2N6O8S/c1-49-45(57)53-21-17-51(18-22-53)39(55)13-7-29-5-11-37(43(47)41(29)33-3-9-35-31(27-33)15-25-59-61-35)63-38-12-6-30(8-14-40(56)52-19-23-54(24-20-52)46(58)50-2)42(44(38)48)34-4-10-36-32(28-34)16-26-60-62-36/h3-14,27-28H,15-26H2,1-2H3,(H,49,57)(H,50,58)/b13-7+,14-8+