N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S2/c1-30-21-12-13-23-22(16-21)27-25(32-23)28(17-20-10-5-6-14-26-20)24(29)11-7-15-31-18-19-8-3-2-4-9-19/h2-6,8-10,12-14,16H,7,11,15,17-18H2,1H3