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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-[(4-fluorophenyl)thio]-N-(4-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=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

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