N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(3-pyridylmethyl)propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=CC=C4

InChI

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