4-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-(ethylthio)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-(ethylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S3/c1-3-31-18-6-4-17(5-7-18)22(27)26(11-10-25-12-14-30-15-13-25)23-24-20-9-8-19(33(2,28)29)16-21(20)32-23/h4-9,16H,3,10-15H2,1-2H3