N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

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