3-[2-[[3-(carbamothioylamino)phenyl]carbonylamino]ethanoylamino]-3-phenyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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