3-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-3-(p-tolylthio)propionamide Formula: C24H29N3O2S3 MolecularWeight: 487.70096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C24H29N3O2S3/c1-18-3-5-19(6-4-18)31-16-9-23(28)27(11-10-26-12-14-29-15-13-26)24-25-21-8-7-20(30-2)17-22(21)32-24/h3-8,17H,9-16H2,1-2H3