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

Systemtic Name: ethyl 3-[2-[[3-(carbamothioylamino)phenyl]carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[2-[[3-(carbamothioylamino)benzoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[[3-(carbamothioylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[3-(carbamothioylamino)benzoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[[2-[(3-thioureidobenzoyl)amino]acetyl]amino]propionic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-2-29-19(27)12-17(14-7-4-3-5-8-14)25-18(26)13-23-20(28)15-9-6-10-16(11-15)24-21(22)30/h3-11,17H,2,12-13H2,1H3,(H,23,28)(H,25,26)(H3,22,24,30)