methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C16H14N2O3S2/c1-21-15(20)11-4-6-12(7-5-11)17-16(22)18-14(19)9-8-13-3-2-10-23-13/h2-10H,1H3,(H2,17,18,19,22)/b9-8+