N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,7-dimethyl-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:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)C)C

InChI

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