N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C18H17ClN2OS2 MolecularWeight: 376.92338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C18H17ClN2OS2/c1-12-7-9-13(10-8-12)23-11-3-6-16(22)20-18-21-17-14(19)4-2-5-15(17)24-18/h2,4-5,7-10H,3,6,11H2,1H3,(H,20,21,22)