N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4)OC

InChI

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