N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chloro-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)-5-chloroanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)-5-chloro-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H27ClN4O3S MolecularWeight: 523.04628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O3S/c1-2-35-22-11-8-19(9-12-22)25(33)30-27(36)29-23-18-21(28)10-13-24(23)31-14-16-32(17-15-31)26(34)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3,(H2,29,30,33,36)