ethyl 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-2-27-18(24)14-6-8-15(9-7-14)20-19(28)21-17(23)12-5-13-3-10-16(11-4-13)22(25)26/h3-12H,2H2,1H3,(H2,20,21,23,28)/b12-5+