4-[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(6-methyl-2-thioxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-methyl-2-thioxo-1H-pyrimidin-4-yl)thio]acetyl]amino]benzoate Formula: C14H12N3O3S2- MolecularWeight: 334.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=S)N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H13N3O3S2/c1-8-6-12(17-14(21)15-8)22-7-11(18)16-10-4-2-9(3-5-10)13(19)20/h2-6H,7H2,1H3,(H,16,18)(H,19,20)(H,15,17,21)/p-1