(3-oxidanylidene-2-phenethyl-1,2-thiazol-5-yl) N,N-bis(phenylmethyl)carbamodithioate

Systemtic Name: (3-oxidanylidene-2-phenethyl-1,2-thiazol-5-yl) N,N-bis(phenylmethyl)carbamodithioate Openeye Name: (3-oxo-2-phenethyl-isothiazol-5-yl) N,N-dibenzylcarbamodithioate CAS Name: N,N-bis(phenylmethyl)carbamodithioic acid (3-oxo-2-phenethyl-5-isothiazolyl) ester IUPAC Name: (3-oxo-2-phenethyl-1,2-thiazol-5-yl) N,N-dibenzylcarbamodithioate Traditional Name: N,N-dibenzylcarbamodithioic acid (3-keto-2-phenethyl-4-isothiazolin-5-yl) ester Formula: C26H24N2OS3 MolecularWeight: 476.67656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C=C(S2)SC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C=C(S2)SC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS3/c29-24-18-25(32-28(24)17-16-21-10-4-1-5-11-21)31-26(30)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2