[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-31-14-16-32(17-15-31)27(29-22-10-6-3-7-11-22)35-19-25(33)30-24-13-12-21(28)18-23(24)26(34)20-8-4-2-5-9-20/h2-13,18H,14-17,19H2,1H3,(H,30,33)