N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[(1-phenyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-2-[(1-phenylbenzimidazol-2-yl)thio]propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-15(20(25)23(2)17-12-13-29(26,27)14-17)28-21-22-18-10-6-7-11-19(18)24(21)16-8-4-3-5-9-16/h3-11,15,17H,12-14H2,1-2H3