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

Systemtic Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfanyl-propanamide Openeye Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfanyl-propanamide CAS Name: N-(cyanomethyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-(methylthio)propanamide IUPAC Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-methylsulfanylpropanamide Traditional Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]-3-(methylthio)propionamide Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S2/c1-20-11-5-3-10(4-6-11)17-14(21)18-12(9-22-2)13(19)16-8-7-15/h3-6,12H,8-9H2,1-2H3,(H,16,19)(H2,17,18,21)