N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H25N3O2S2/c1-17-7-12-22-24(18(17)2)27-25(32-22)28(16-19-6-4-5-14-26-19)23(29)13-15-31-21-10-8-20(30-3)9-11-21/h4-12,14H,13,15-16H2,1-3H3