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

Systemtic Name: 2-[[2-(carbamothioylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(carbamothioylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [2-[[[2-(carbamothioylamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(carbamothioylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[(2-thioureidobenzoyl)amino]acetyl] ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)OC(=O)CCC2=C(N=CC=C2)N)NC(=S)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)OC(=O)CCC2=C(N=CC=C2)N)NC(=S)N

InChI

InChI=1S/C18H19N5O4S/c19-16-11(4-3-9-21-16)7-8-14(24)27-15(25)10-22-17(26)12-5-1-2-6-13(12)23-18(20)28/h1-6,9H,7-8,10H2,(H2,19,21)(H,22,26)(H3,20,23,28)