N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridylmethyl)propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S2/c1-28-18-10-11-21-20(15-18)25-23(30-21)26(16-17-7-5-6-13-24-17)22(27)12-14-29-19-8-3-2-4-9-19/h2-11,13,15H,12,14,16H2,1H3