3,4,5-triethoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C31H36N4O5S MolecularWeight: 576.70634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O5S/c1-4-38-26-20-23(21-27(39-5-2)28(26)40-6-3)29(36)33-31(41)32-24-14-10-11-15-25(24)34-16-18-35(19-17-34)30(37)22-12-8-7-9-13-22/h7-15,20-21H,4-6,16-19H2,1-3H3,(H2,32,33,36,41)