2-[[2-(carbamothioylamino)phenyl]carbonylamino]ethanoyl 3-(2-aminophenyl)propanoate

Systemtic Name: 2-[[2-(carbamothioylamino)phenyl]carbonylamino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[[2-(carbamothioylamino)benzoyl]amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[[2-(carbamothioylamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(carbamothioylamino)benzoyl]amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[(2-thioureidobenzoyl)amino]acetyl] ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)OC(=O)CNC(=O)C2=CC=CC=C2NC(=S)N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)OC(=O)CNC(=O)C2=CC=CC=C2NC(=S)N)N

InChI

InChI=1S/C19H20N4O4S/c20-14-7-3-1-5-12(14)9-10-16(24)27-17(25)11-22-18(26)13-6-2-4-8-15(13)23-19(21)28/h1-8H,9-11,20H2,(H,22,26)(H3,21,23,28)