N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxy-benzamide

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C29H31ClN4O4S MolecularWeight: 567.09884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OCC

InChI

InChI=1S/C29H31ClN4O4S/c1-3-37-23-17-21(18-24(19-23)38-4-2)27(35)32-29(39)31-25-7-5-6-8-26(25)33-13-15-34(16-14-33)28(36)20-9-11-22(30)12-10-20/h5-12,17-19H,3-4,13-16H2,1-2H3,(H2,31,32,35,39)