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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H32N4OS/c1-22-10-9-15-26(23(22)2)30-27(33)21-34-28(29-25-13-7-4-8-14-25)32-18-16-31(17-19-32)20-24-11-5-3-6-12-24/h3-15H,16-21H2,1-2H3,(H,30,33)