4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[4-(4-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-4-(p-tolylthio)butyramide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c1-14-4-10-17(11-5-14)27-12-2-3-19(24)22-20-21-18(13-28-20)15-6-8-16(9-7-15)23(25)26/h4-11,13H,2-3,12H2,1H3,(H,21,22,24)