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

Systemtic Name: methyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-26-17(23)13-6-8-14(9-7-13)19-18(27)20-16(22)10-5-12-3-2-4-15(11-12)21(24)25/h2-11H,1H3,(H2,19,20,22,27)/b10-5+