methyl 4-[(3-ethoxypropanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-ethoxypropanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-ethoxypropanoylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-ethoxypropanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-ethoxypropanoylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H19N3O5S/c1-3-23-9-8-12(19)17-18-15(24)16-13(20)10-4-6-11(7-5-10)14(21)22-2/h4-7H,3,8-9H2,1-2H3,(H,17,19)(H2,16,18,20,24)