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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(3-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=CN=CC=C2)C3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)OC

InChI

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