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

Systemtic Name: 3-(4-methylphenyl)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-(p-tolylsulfanyl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(4-methylphenyl)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-(p-tolylthio)-N-(3-pyridylmethyl)propionamide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C26H27N3OS2/c1-18(2)22-7-4-8-23-25(22)28-26(32-23)29(17-20-6-5-14-27-16-20)24(30)13-15-31-21-11-9-19(3)10-12-21/h4-12,14,16,18H,13,15,17H2,1-3H3