4-methyl-3-[[6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[[6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[[6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carbonyl]amino]benzoic acid CAS Name: 4-methyl-3-[[oxo-[6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidin-4-yl]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carbonyl]amino]benzoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NC(=S)NC(=C2)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NC(=S)NC(=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3S/c1-13-7-9-15(20(26)27)11-17(13)23-19(25)18-12-16(22-21(28)24-18)10-8-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,25)(H,26,27)(H,22,24,28)/b10-8+