methyl 4-[6-phenyl-5-(pyridin-1-ium-2-ylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[6-phenyl-5-(pyridin-1-ium-2-ylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[6-phenyl-5-(pyridin-1-ium-2-ylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[5-[oxo-(2-pyridin-1-iumylamino)methyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-phenyl-5-(pyridin-1-ium-2-ylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[6-phenyl-5-(pyridin-1-ium-2-ylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C24H21N4O3S+ MolecularWeight: 445.51354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=[NH+]4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H20N4O3S/c1-31-23(30)17-12-10-16(11-13-17)21-19(22(29)26-18-9-5-6-14-25-18)20(27-24(32)28-21)15-7-3-2-4-8-15/h2-14,21H,1H3,(H,25,26,29)(H2,27,28,32)/p+1