4-[5-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[5-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Openeye Name: 4-[5-[[(E)-(2,4-dichlorophenyl)methyleneamino]carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid CAS Name: 4-[5-[[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid IUPAC Name: 4-[5-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Traditional Name: 4-[5-[[(E)-(2,4-dichlorobenzylidene)amino]carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Formula: C20H16Cl2N4O3S MolecularWeight: 463.33704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O3S/c1-10-16(18(27)26-23-9-13-6-7-14(21)8-15(13)22)17(25-20(30)24-10)11-2-4-12(5-3-11)19(28)29/h2-9,17H,1H3,(H,26,27)(H,28,29)(H2,24,25,30)/b23-9+