N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C23H26N4O2S/c1-16(2)25-22(28)14-30-21-7-5-4-6-20(21)23(29)26-17(3)18-8-10-19(11-9-18)27-13-12-24-15-27/h4-13,15-17H,14H2,1-3H3,(H,25,28)(H,26,29)