ethyl 3-[(3,5-dinitrophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3,5-dinitrophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3,5-dinitrobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3,5-dinitrobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3,5-dinitrobenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-2-31-18(25)8-9-22(13-14-6-4-3-5-7-14)20(32)21-19(26)15-10-16(23(27)28)12-17(11-15)24(29)30/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,26,32)