N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfonyl-propanamide

Systemtic Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfonyl-propanamide Openeye Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfonyl-propanamide CAS Name: N-(cyanomethyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-methylsulfonylpropanamide IUPAC Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfonylpropanamide Traditional Name: N-(cyanomethyl)-3-mesyl-2-[(4-methoxyphenyl)thiocarbamoylamino]propionamide Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(CS(=O)(=O)C)C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(CS(=O)(=O)C)C(=O)NCC#N

InChI

InChI=1S/C14H18N4O4S2/c1-22-11-5-3-10(4-6-11)17-14(23)18-12(9-24(2,20)21)13(19)16-8-7-15/h3-6,12H,8-9H2,1-2H3,(H,16,19)(H2,17,18,23)