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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C24H22ClN3OS2 MolecularWeight: 468.03398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3OS2/c1-16-6-7-17(2)23-22(16)27-24(31-23)28(15-19-5-3-4-13-26-19)21(29)12-14-30-20-10-8-18(25)9-11-20/h3-11,13H,12,14-15H2,1-2H3