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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3S3/c1-33(29,30)21-14-15-22-23(17-21)32-25(26-22)27(18-19-9-4-2-5-10-19)24(28)13-8-16-31-20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3