[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H34N4OS/c1-3-25-14-10-11-23(2)28(25)31-27(34)22-35-29(30-26-15-8-5-9-16-26)33-19-17-32(18-20-33)21-24-12-6-4-7-13-24/h4-16H,3,17-22H2,1-2H3,(H,31,34)