9H-fluoren-9-ylmethyl N-[4-[bis[2-[[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[4-[bis[2-[[3-[4-bromanyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[4-[bis[2-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylanilino]-2-oxo-ethyl]amino]-4-oxo-butyl]carbamate CAS Name: N-[4-[bis[2-[3-[[4-bromo-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]phenyl]thio]anilino]-2-oxoethyl]amino]-4-oxobutyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[4-[bis[2-[3-[4-bromo-2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylanilino]-2-oxoethyl]amino]-4-oxobutyl]carbamate Traditional Name: N-[4-[bis[2-[3-[[4-bromo-2-[3-(4-methylpiperazino)propanoylamino]phenyl]thio]anilino]-2-keto-ethyl]amino]-4-keto-butyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C63H70Br2N10O7S2 MolecularWeight: 1303.2307

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CN(CC(=O)NC4=CC(=CC=C4)SC5=C(C=C(C=C5)Br)NC(=O)CCN6CCN(CC6)C)C(=O)CCCNC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)SC3=CC=CC(=C3)NC(=O)CN(CC(=O)NC4=CC(=CC=C4)SC5=C(C=C(C=C5)Br)NC(=O)CCN6CCN(CC6)C)C(=O)CCCNC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

InChI

InChI=1S/C63H70Br2N10O7S2/c1-71-28-32-73(33-29-71)26-23-58(76)69-54-36-43(64)19-21-56(54)83-47-12-7-10-45(38-47)67-60(78)40-75(62(80)18-9-25-66-63(81)82-42-53-51-16-5-3-14-49(51)50-15-4-6-17-52(50)53)41-61(79)68-46-11-8-13-48(39-46)84-57-22-20-44(65)37-55(57)70-59(77)24-27-74-34-30-72(2)31-35-74/h3-8,10-17,19-22,36-39,53H,9,18,23-35,40-42H2,1-2H3,(H,66,81)(H,67,78)(H,68,79)(H,69,76)(H,70,77)