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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: 3-besyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)propionamide Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S3/c1-31-18-7-8-20-21(17-18)32-23(24-20)26(11-10-25-12-14-30-15-13-25)22(27)9-16-33(28,29)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3