methyl 2-[(methylcarbamothioylamino)carbamoyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-[(methylcarbamothioylamino)carbamoyl]quinoline-4-carboxylate Openeye Name: methyl 2-[(methylcarbamothioylamino)carbamoyl]quinoline-4-carboxylate CAS Name: 2-[[[methylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(methylcarbamothioylamino)carbamoyl]quinoline-4-carboxylate Traditional Name: 2-[(methylthiocarbamoylamino)carbamoyl]cinchoninic acid methyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C(=O)OC

Isomeric SMILES

CNC(=S)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C(=O)OC

InChI

InChI=1S/C14H14N4O3S/c1-15-14(22)18-17-12(19)11-7-9(13(20)21-2)8-5-3-4-6-10(8)16-11/h3-7H,1-2H3,(H,17,19)(H2,15,18,22)