(phenylmethyl) 3-[[3-[2-(4-carbamothioylphenyl)ethanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[2-(4-carbamothioylphenyl)ethanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[[2-(4-carbamothioylphenyl)acetyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[2-(4-carbamothioylphenyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[[2-(4-carbamothioylphenyl)acetyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[[2-(4-thiocarbamoylphenyl)acetyl]amino]benzoyl]amino]propionic acid benzyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C26H25N3O4S/c27-25(34)20-11-9-18(10-12-20)15-23(30)29-22-8-4-7-21(16-22)26(32)28-14-13-24(31)33-17-19-5-2-1-3-6-19/h1-12,16H,13-15,17H2,(H2,27,34)(H,28,32)(H,29,30)