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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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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)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S2/c1-2-29-20-10-11-21-22(13-20)31-24(26-21)27(15-19-9-6-12-25-14-19)23(28)17-30-16-18-7-4-3-5-8-18/h3-14H,2,15-17H2,1H3