ethyl 2-[(3-nitrophenyl)methylcarbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[(3-nitrophenyl)methylcarbamothioylamino]ethanoate Openeye Name: ethyl 2-[(3-nitrophenyl)methylcarbamothioylamino]acetate CAS Name: 2-[[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitrophenyl)methylcarbamothioylamino]acetate Traditional Name: 2-[(3-nitrobenzyl)thiocarbamoylamino]acetic acid ethyl ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC(=S)NCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-2-19-11(16)8-14-12(20)13-7-9-4-3-5-10(6-9)15(17)18/h3-6H,2,7-8H2,1H3,(H2,13,14,20)