[[2-(carbamothioylamino)phenyl]carbonylamino]methyl 3-phenylpropanoate

Systemtic Name: [[2-(carbamothioylamino)phenyl]carbonylamino]methyl 3-phenylpropanoate Openeye Name: [[2-(carbamothioylamino)benzoyl]amino]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[[2-(carbamothioylamino)phenyl]-oxomethyl]amino]methyl ester IUPAC Name: [[2-(carbamothioylamino)benzoyl]amino]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(2-thioureidobenzoyl)amino]methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCNC(=O)C2=CC=CC=C2NC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCNC(=O)C2=CC=CC=C2NC(=S)N

InChI

InChI=1S/C18H19N3O3S/c19-18(25)21-15-9-5-4-8-14(15)17(23)20-12-24-16(22)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)(H3,19,21,25)