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

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

Systemtic Name:N-(cyanomethyl)-3-methylsulfanyl-2-[(4-nitrophenyl)carbamothioylamino]propanamide
Openeye Name:N-(cyanomethyl)-3-methylsulfanyl-2-[(4-nitrophenyl)carbamothioylamino]propanamide
CAS Name:N-(cyanomethyl)-3-(methylthio)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanamide
IUPAC Name:N-(cyanomethyl)-3-methylsulfanyl-2-[(4-nitrophenyl)carbamothioylamino]propanamide
Traditional Name:N-(cyanomethyl)-3-(methylthio)-2-[(4-nitrophenyl)thiocarbamoylamino]propionamide
Formula: C13H15N5O3S2
MolecularWeight: 353.4199
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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NCC#N)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]


Isomeric SMILES

CSCC(C(=O)NCC#N)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]


InChI

InChI=1S/C13H15N5O3S2/c1-23-8-11(12(19)15-7-6-14)17-13(22)16-9-2-4-10(5-3-9)18(20)21/h2-5,11H,7-8H2,1H3,(H,15,19)(H2,16,17,22)


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