ethyl 2-[2-[[3-(carbamothioylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-[2-[[3-(carbamothioylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 2-[[2-[[3-(carbamothioylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 2-[[2-[[[3-(carbamothioylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(carbamothioylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-(3-pyridyl)-2-[[2-[(3-thioureidobenzoyl)amino]acetyl]amino]propionic acid ethyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC(=S)N

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC(=S)N

InChI

InChI=1S/C20H23N5O4S/c1-2-29-19(28)16(9-13-5-4-8-22-11-13)25-17(26)12-23-18(27)14-6-3-7-15(10-14)24-20(21)30/h3-8,10-11,16H,2,9,12H2,1H3,(H,23,27)(H,25,26)(H3,21,24,30)