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

Systemtic Name: 3-[[[(Z)-(5-naphthalen-1-yl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[[(Z)-[5-(1-naphthyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(Z)-[5-(1-naphthalenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[[(Z)-(5-naphthalen-1-yl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 3-[[[(Z)-[6-keto-5-(1-naphthyl)cyclohexa-2,4-dien-1-ylidene]methyl]amino]thiocarbamoylamino]benzoic acid Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC(=CNNC(=S)NC4=CC=CC(=C4)C(=O)O)C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC=C/C(=C/NNC(=S)NC4=CC=CC(=C4)C(=O)O)/C3=O

InChI

InChI=1S/C25H19N3O3S/c29-23-18(15-26-28-25(32)27-19-10-3-8-17(14-19)24(30)31)9-5-13-22(23)21-12-4-7-16-6-1-2-11-20(16)21/h1-15,26H,(H,30,31)(H2,27,28,32)/b18-15-