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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)butyramide Formula: C24H28ClN3O2S3 MolecularWeight: 522.14602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O2S3/c1-31-20-4-2-5-21-23(20)26-24(33-21)28(12-11-27-13-15-30-16-14-27)22(29)6-3-17-32-19-9-7-18(25)8-10-19/h2,4-5,7-10H,3,6,11-17H2,1H3