N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C19H20N2OS2 MolecularWeight: 356.5049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCCSC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2OS2/c1-13-11-14(2)18-16(12-13)20-19(24-18)21-17(22)9-6-10-23-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,21,22)