N-(cyanomethyl)-3-methylsulfonyl-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-methylsulfonyl-2-(phenylcarbamothioylamino)propanamide Openeye Name: N-(cyanomethyl)-3-methylsulfonyl-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(cyanomethyl)-3-methylsulfonylpropanamide IUPAC Name: N-(cyanomethyl)-3-methylsulfonyl-2-(phenylcarbamothioylamino)propanamide Traditional Name: N-(cyanomethyl)-3-mesyl-2-(phenylthiocarbamoylamino)propionamide Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NCC#N)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC(C(=O)NCC#N)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H16N4O3S2/c1-22(19,20)9-11(12(18)15-8-7-14)17-13(21)16-10-5-3-2-4-6-10/h2-6,11H,8-9H2,1H3,(H,15,18)(H2,16,17,21)