N-[2-cyanoethyl(methyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-cyanoethyl(methyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-cyanoethyl(methyl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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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)N2CCCC2

Isomeric SMILES

CN(CCC#N)C(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H20N4O3S2/c1-19(10-4-9-17)16(24)18-15(21)13-5-7-14(8-6-13)25(22,23)20-11-2-3-12-20/h5-8H,2-4,10-12H2,1H3,(H,18,21,24)