N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazino]phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4S/c1-35-24-12-7-19(28)17-23(24)26(34)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-27(37)30-25(33)18-36-22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H2,29,30,33,37)