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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butyramide Formula: C24H28ClN3O4S3 MolecularWeight: 554.14482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O4S3/c1-35(30,31)21-5-2-4-20-23(21)26-24(34-20)28(12-11-27-13-15-32-16-14-27)22(29)6-3-17-33-19-9-7-18(25)8-10-19/h2,4-5,7-10H,3,6,11-17H2,1H3