(phenylmethyl) 3-[[3-[(3-carbamothioylphenyl)carbonylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[(3-carbamothioylphenyl)carbonylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[(3-carbamothioylbenzoyl)amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[(3-carbamothioylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[(3-carbamothioylbenzoyl)amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[(3-thiocarbamoylbenzoyl)amino]benzoyl]amino]propionic acid benzyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c26-23(33)18-8-4-9-19(14-18)25(31)28-21-11-5-10-20(15-21)24(30)27-13-12-22(29)32-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H2,26,33)(H,27,30)(H,28,31)