methyl 4-(quinoxalin-6-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(quinoxalin-6-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(quinoxalin-6-ylcarbamothioylamino)benzoate CAS Name: 4-[[(6-quinoxalinylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(quinoxalin-6-ylcarbamothioylamino)benzoate Traditional Name: 4-(quinoxalin-6-ylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=NC=CN=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C17H14N4O2S/c1-23-16(22)11-2-4-12(5-3-11)20-17(24)21-13-6-7-14-15(10-13)19-9-8-18-14/h2-10H,1H3,(H2,20,21,24)