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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C26H26N2OS2 MolecularWeight: 446.62744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2OS2/c1-19-16-20(2)25-23(17-19)31-26(27-25)28(18-21-10-5-3-6-11-21)24(29)14-9-15-30-22-12-7-4-8-13-22/h3-8,10-13,16-17H,9,14-15,18H2,1-2H3