N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,6-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=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

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

InChI

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