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

Systemtic Name: 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 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]benzoate IUPAC Name: 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzoate Formula: C15H11N2O3S2- MolecularWeight: 331.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H12N2O3S2/c18-13(8-7-12-2-1-9-22-12)17-15(21)16-11-5-3-10(4-6-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,21)/p-1/b8-7+