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

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

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