methyl 3-[[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)OC)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)OC)C=CC1=O

InChI

InChI=1S/C17H17N3O4S/c1-23-15-8-11(6-7-14(15)21)10-18-20-17(25)19-13-5-3-4-12(9-13)16(22)24-2/h3-10,18H,1-2H3,(H2,19,20,25)