N-[3-[1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[1-[(4-iodophenyl)carbamoyl]propylsulfanyl]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(4-iodoanilino)-1-oxobutan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(4-iodoanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[1-[(4-iodophenyl)carbamoyl]propylthio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C29H26IN3O2S2 MolecularWeight: 639.57011

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C29H26IN3O2S2/c1-2-25(28(34)31-20-16-14-19(30)15-17-20)36-22-9-7-8-21(18-22)32-29(35)33-23-10-3-5-12-26(23)37-27-13-6-4-11-24(27)33/h3-18,23,25-26H,2H2,1H3,(H,31,34)(H,32,35)