4-[3-(cyanocarbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[3-(cyanocarbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[3-(cyanocarbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[3-[[(cyanoamino)-sulfanylidenemethyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-(cyanocarbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[3-(cyanothiocarbamoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=S)NC#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=S)NC#N)C(=O)O

InChI

InChI=1S/C17H16N4O4S/c1-8-12(15(22)23)14(13(16(24)25)9(2)20-8)10-4-3-5-11(6-10)21-17(26)19-7-18/h3-6,14,20H,1-2H3,(H,22,23)(H,24,25)(H2,19,21,26)