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

Systemtic Name: 4-[5-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Openeye Name: 4-[5-[[(E)-(4-chlorophenyl)methyleneamino]carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid CAS Name: 4-[5-[[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid IUPAC Name: 4-[5-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Traditional Name: 4-[5-[[(E)-(4-chlorobenzylidene)amino]carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3S/c1-11-16(18(26)25-22-10-12-2-8-15(21)9-3-12)17(24-20(29)23-11)13-4-6-14(7-5-13)19(27)28/h2-10,17H,1H3,(H,25,26)(H,27,28)(H2,23,24,29)/b22-10+