methyl 4-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-ethyl-6-methylphenyl)carbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C19H21N3O3S/c1-4-13-7-5-6-12(2)16(13)20-19(26)22-21-17(23)14-8-10-15(11-9-14)18(24)25-3/h5-11H,4H2,1-3H3,(H,21,23)(H2,20,22,26)