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

Systemtic Name: 4-[[[(Z)-(5-naphthalen-1-yl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 4-[[[(Z)-[5-(1-naphthyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(Z)-[5-(1-naphthalenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[[(Z)-(5-naphthalen-1-yl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 4-[[[(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=C(C=C4)C(=O)O)C3=O

Isomeric SMILES

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

InChI

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