[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] N,N-bis(phenylmethyl)carbamodithioate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] N,N-bis(phenylmethyl)carbamodithioate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] N,N-dibenzylcarbamodithioate CAS Name: N,N-bis(phenylmethyl)carbamodithioic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] N,N-dibenzylcarbamodithioate Traditional Name: N,N-dibenzylcarbamodithioic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H21N3OS2 MolecularWeight: 431.57304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H21N3OS2/c25-15-21-12-7-13-22(14-21)26-23(28)18-30-24(29)27(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,16-18H2,(H,26,28)