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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S2/c1-23-14-10-11-15(24-2)18-17(14)21-19(26-18)20-16(22)9-6-12-25-13-7-4-3-5-8-13/h3-5,7-8,10-11H,6,9,12H2,1-2H3,(H,20,21,22)