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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-32-25-14-12-23(13-15-25)26(31)21-33-27(28-24-10-6-3-7-11-24)30-18-16-29(17-19-30)20-22-8-4-2-5-9-22/h2-15H,16-21H2,1H3