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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-benzyl-4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethylthio)butanamide IUPAC Name: N-benzyl-4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-(benzylthio)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S2/c1-31-22-15-16-23(32-2)26-25(22)28-27(34-26)29(18-20-10-5-3-6-11-20)24(30)14-9-17-33-19-21-12-7-4-8-13-21/h3-8,10-13,15-16H,9,14,17-19H2,1-2H3