[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid (2-cumidino-2-keto-ethyl) ester Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4OS/c1-23(2)25-13-15-27(16-14-25)30-28(34)22-35-29(31-26-11-7-4-8-12-26)33-19-17-32(18-20-33)21-24-9-5-3-6-10-24/h3-16,23H,17-22H2,1-2H3,(H,30,34)