1,3-bis(pyridin-2-ylsulfanyl)propan-2-yl N-(4-chlorophenyl)carbamate

Systemtic Name: 1,3-bis(pyridin-2-ylsulfanyl)propan-2-yl N-(4-chlorophenyl)carbamate Openeye Name: [2-(2-pyridylsulfanyl)-1-(2-pyridylsulfanylmethyl)ethyl] N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid 1,3-bis(2-pyridinylthio)propan-2-yl ester IUPAC Name: 1,3-bis(pyridin-2-ylsulfanyl)propan-2-yl N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid [2-(2-pyridylthio)-1-[(2-pyridylthio)methyl]ethyl] ester Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(CSC2=CC=CC=N2)OC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)SCC(CSC2=CC=CC=N2)OC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S2/c21-15-7-9-16(10-8-15)24-20(25)26-17(13-27-18-5-1-3-11-22-18)14-28-19-6-2-4-12-23-19/h1-12,17H,13-14H2,(H,24,25)