4-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H17ClN2O3S3 MolecularWeight: 440.98718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S3/c1-27(23,24)14-8-9-15-16(11-14)26-18(20-15)21-17(22)3-2-10-25-13-6-4-12(19)5-7-13/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)