methyl 3-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-(propanoylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(propanoylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-propionamidobenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N4O5S/c1-3-16(25)21-15-9-7-12(8-10-15)18(27)23-24-20(30)22-17(26)13-5-4-6-14(11-13)19(28)29-2/h4-11H,3H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,30)