4-[[2-(3-azanylpropyl)phenyl]carbothioylamino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide

Systemtic Name: 4-[[2-(3-azanylpropyl)phenyl]carbothioylamino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide Openeye Name: 4-[[2-(3-aminopropyl)benzenecarbothioyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 4-[[[2-(3-aminopropyl)phenyl]-sulfanylidenemethyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide IUPAC Name: 4-[[2-(3-aminopropyl)benzenecarbothioyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide Traditional Name: 4-[[2-(3-aminopropyl)thiobenzoyl]amino]-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide Formula: C37H49N5O4S MolecularWeight: 659.88106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3CCCN)OC)OCCCCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3CCCN)OC)OCCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C37H49N5O4S/c1-27-15-18-32(34(25-27)46-24-9-5-6-14-35(43)42-22-20-40(2)21-23-42)41(3)37(44)29-16-17-31(33(26-29)45-4)39-36(47)30-13-8-7-11-28(30)12-10-19-38/h7-8,11,13,15-18,25-26H,5-6,9-10,12,14,19-24,38H2,1-4H3,(H,39,47)