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

Systemtic Name: 4-[[[(Z)-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 4-[[[(Z)-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(Z)-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 4-[[[(Z)-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiocarbamoylamino]benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=CNNC(=S)NC2=CC=C(C=C2)C(=O)O)C1=O

Isomeric SMILES

CC1=CC=C/C(=C/NNC(=S)NC2=CC=C(C=C2)C(=O)O)/C1=O

InChI

InChI=1S/C16H15N3O3S/c1-10-3-2-4-12(14(10)20)9-17-19-16(23)18-13-7-5-11(6-8-13)15(21)22/h2-9,17H,1H3,(H,21,22)(H2,18,19,23)/b12-9-