N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylthio)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O2S2/c1-3-31-22-9-6-10-23-25(22)28-26(33-23)29(18-20-8-4-5-16-27-20)24(30)11-7-17-32-21-14-12-19(2)13-15-21/h4-6,8-10,12-16H,3,7,11,17-18H2,1-2H3