3-methylsulfanylpropylcarbamoyl-(4-nitrophenyl)carbamic acid

Systemtic Name: 3-methylsulfanylpropylcarbamoyl-(4-nitrophenyl)carbamic acid Openeye Name: 3-methylsulfanylpropylcarbamoyl-(4-nitrophenyl)carbamic acid CAS Name: [[3-(methylthio)propylamino]-oxomethyl]-(4-nitrophenyl)carbamic acid IUPAC Name: 3-methylsulfanylpropylcarbamoyl-(4-nitrophenyl)carbamic acid Traditional Name: 3-(methylthio)propylcarbamoyl-(4-nitrophenyl)carbamic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSCCCNC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15N3O5S/c1-21-8-2-7-13-11(16)14(12(17)18)9-3-5-10(6-4-9)15(19)20/h3-6H,2,7-8H2,1H3,(H,13,16)(H,17,18)