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

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N2O3S2/c1-24-16-11-15-18(12-17(16)25-2)27-20(21-15)22-19(23)9-6-10-26-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22,23)