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

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-benzyl-N-(4-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=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

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

InChI

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