3-methyl-4-[[(E)-1-quinolin-2-ylethylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-1-quinolin-2-ylethylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-1-(2-quinolyl)ethylideneamino]carbamothioylamino]benzoic acid CAS Name: 3-methyl-4-[[[(2E)-2-[1-(2-quinolinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-1-quinolin-2-ylethylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-1-(2-quinolyl)ethylideneamino]thiocarbamoylamino]benzoic acid Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=S)NN=C(C)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=S)N/N=C(\C)/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N4O2S/c1-12-11-15(19(25)26)8-9-16(12)22-20(27)24-23-13(2)17-10-7-14-5-3-4-6-18(14)21-17/h3-11H,1-2H3,(H,25,26)(H2,22,24,27)/b23-13+