N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-[4-(4-methylpiperazino)phenyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O2S/c1-17(2)24-22(28)16-30-21-7-5-4-6-20(21)23(29)25-18-8-10-19(11-9-18)27-14-12-26(3)13-15-27/h4-11,17H,12-16H2,1-3H3,(H,24,28)(H,25,29)