ethyl 3-(4-chlorophenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]propanoate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]propanoate Openeye Name: ethyl 3-(4-chlorophenyl)-2-[(4-isopropylphenyl)carbamothioylamino]propanoate CAS Name: 3-(4-chlorophenyl)-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]propanoate Traditional Name: 3-(4-chlorophenyl)-2-(p-cumenylthiocarbamoylamino)propionic acid ethyl ester Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H25ClN2O2S/c1-4-26-20(25)19(13-15-5-9-17(22)10-6-15)24-21(27)23-18-11-7-16(8-12-18)14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H2,23,24,27)