3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C16H14N2O4S/c1-10-4-5-11(15(20)21)9-13(10)17-16(23)18-14(19)7-6-12-3-2-8-22-12/h2-9H,1H3,(H,20,21)(H2,17,18,19,23)/b7-6+