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methyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate

methyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate

Systemtic Name:methyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate
Openeye Name:methyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate
CAS Name:4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester
IUPAC Name:methyl 4-[(4-nitrophenyl)carbamothioylamino]butanoate
Traditional Name:4-[(4-nitrophenyl)thiocarbamoylamino]butyric acid methyl ester
Formula: C12H15N3O4S
MolecularWeight: 297.3302
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]


InChI

InChI=1S/C12H15N3O4S/c1-19-11(16)3-2-8-13-12(20)14-9-4-6-10(7-5-9)15(17)18/h4-7H,2-3,8H2,1H3,(H2,13,14,20)


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