N-[2-cyanoethyl(methyl)carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-cyanoethyl(methyl)thiocarbamoyl]-4-morpholinosulfonyl-benzamide Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CN(CCC#N)C(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H20N4O4S2/c1-19(8-2-7-17)16(25)18-15(21)13-3-5-14(6-4-13)26(22,23)20-9-11-24-12-10-20/h3-6H,2,8-12H2,1H3,(H,18,21,25)