(E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]anilino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]anilino]-4-keto-but-2-enoate Formula: C17H15N4O3S- MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-10-9-11(2)19-17(18-10)21-16(25)12-3-5-13(6-4-12)20-14(22)7-8-15(23)24/h3-9H,1-2H3,(H,20,22)(H,23,24)(H,18,19,21,25)/p-1/b8-7+