ethyl 3-(phenylmethylsulfanyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-isopropylphenyl)carbamoylamino]propanoate CAS Name: 2-[[oxo-(4-propan-2-ylanilino)methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-(p-cumenylcarbamoylamino)propionic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-27-21(25)20(15-28-14-17-8-6-5-7-9-17)24-22(26)23-19-12-10-18(11-13-19)16(2)3/h5-13,16,20H,4,14-15H2,1-3H3,(H2,23,24,26)