[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H29ClN4O2S/c1-34-25-13-12-23(18-24(25)28)29-26(33)20-35-27(30-22-10-6-3-7-11-22)32-16-14-31(15-17-32)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19-20H2,1H3,(H,29,33)