3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C22H25N3O4S/c1-15(2)23-20(26)14-30-19-11-6-3-8-16(19)21(27)29-13-7-12-25-18-10-5-4-9-17(18)24-22(25)28/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,23,26)(H,24,28)