N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3OS2 MolecularWeight: 433.58892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3OS2/c1-17-14-18(2)23-21(15-17)26-24(30-23)27(16-19-8-6-7-12-25-19)22(28)11-13-29-20-9-4-3-5-10-20/h3-10,12,14-15H,11,13,16H2,1-2H3