4-(azepan-1-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)benzamide Formula: C27H34N4O4S3 MolecularWeight: 574.77826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H34N4O4S3/c1-36-22-8-11-24-25(20-22)37-27(28-24)31(15-14-29-16-18-35-19-17-29)26(32)21-6-9-23(10-7-21)38(33,34)30-12-4-2-3-5-13-30/h6-11,20H,2-5,12-19H2,1H3