3-[[[(Z)-(6-oxidanylidene-5-phenyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[[(Z)-(6-oxidanylidene-5-phenyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[[(Z)-(6-oxo-5-phenyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(Z)-(6-oxo-5-phenyl-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[[(Z)-(6-oxo-5-phenylcyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 3-[[[(Z)-(6-keto-5-phenyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiocarbamoylamino]benzoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC(=CNNC(=S)NC3=CC=CC(=C3)C(=O)O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C/C(=C/NNC(=S)NC3=CC=CC(=C3)C(=O)O)/C2=O

InChI

InChI=1S/C21H17N3O3S/c25-19-16(9-5-11-18(19)14-6-2-1-3-7-14)13-22-24-21(28)23-17-10-4-8-15(12-17)20(26)27/h1-13,22H,(H,26,27)(H2,23,24,28)/b16-13-