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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O2S2/c1-18(2)22-7-4-8-23-25(22)28-26(33-23)29(17-19-6-5-14-27-16-19)24(30)13-15-32-21-11-9-20(31-3)10-12-21/h4-12,14,16,18H,13,15,17H2,1-3H3