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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-[(4-fluorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H23FN2O3S3 MolecularWeight: 514.655123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S3/c1-34(30,31)21-13-14-22-23(16-21)33-25(27-22)28(17-18-6-3-2-4-7-18)24(29)8-5-15-32-20-11-9-19(26)10-12-20/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3