methyl 4-[[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]benzoate CAS Name: 4-[[[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]benzoate Traditional Name: 4-[[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-11(12-5-9-15(21)10-6-12)19-20-17(24)18-14-7-3-13(4-8-14)16(22)23-2/h3-10,19H,1-2H3,(H2,18,20,24)