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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2O3S/c1-25-17(24)12-3-7-14(8-4-12)21-18(26)22-16(23)9-5-11-2-6-13(19)10-15(11)20/h2-10H,1H3,(H2,21,22,23,26)/b9-5+