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

Systemtic Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H14Cl2N2O3S/c1-10-13(17(24)25)3-2-4-15(10)21-18(26)22-16(23)8-6-11-5-7-12(19)9-14(11)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,26)/b8-6+