N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S2/c1-2-31-22-12-13-23-24(16-22)33-26(28-23)29(18-21-10-6-14-27-17-21)25(30)11-7-15-32-19-20-8-4-3-5-9-20/h3-6,8-10,12-14,16-17H,2,7,11,15,18-19H2,1H3