ethyl 4-[[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 4-[[[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 4-[[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC=C2C=CC=CC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC=C2C=CC=CC2=O

InChI

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