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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-4-(p-tolylthio)butyramide Formula: C25H31N3O2S3 MolecularWeight: 501.72754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H31N3O2S3/c1-19-8-10-20(11-9-19)32-18-4-7-23(29)28(13-12-27-14-16-30-17-15-27)25-26-24-21(31-2)5-3-6-22(24)33-25/h3,5-6,8-11H,4,7,12-18H2,1-2H3