methyl 2-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]ethanoate

Systemtic Name: methyl 2-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]ethanoate Openeye Name: methyl 2-[(3-methyl-4-nitro-benzoyl)carbamothioylamino]acetate CAS Name: 2-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]acetic acid methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-7-5-8(3-4-9(7)15(18)19)11(17)14-12(21)13-6-10(16)20-2/h3-5H,6H2,1-2H3,(H2,13,14,17,21)