N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(2-pyridylmethyl)propionamide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)C

InChI

InChI=1S/C25H25N3OS2/c1-3-19-7-6-9-22-24(19)27-25(31-22)28(17-20-8-4-5-15-26-20)23(29)14-16-30-21-12-10-18(2)11-13-21/h4-13,15H,3,14,16-17H2,1-2H3