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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O2S2/c1-28-18-9-11-19(12-10-18)29-15-13-22(27)26(16-17-6-4-5-14-24-17)23-25-20-7-2-3-8-21(20)30-23/h2-12,14H,13,15-16H2,1H3