N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2OS2/c1-14-11-17-18(12-15(14)2)25-20(21-17)22-19(23)9-6-10-24-13-16-7-4-3-5-8-16/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22,23)