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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O2S/c1-22(34)29-25-12-14-26(15-13-25)30-27(35)21-36-28(31-24-10-6-3-7-11-24)33-18-16-32(17-19-33)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,34)(H,30,35)