3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C18H14Cl2N2O4S MolecularWeight: 425.28576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O4S/c1-26-15-6-3-11(17(24)25)8-14(15)21-18(27)22-16(23)7-4-10-2-5-12(19)9-13(10)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-4+