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

Systemtic Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-3-(4-chlorophenyl)propanoate Openeye Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-3-(4-chlorophenyl)propanoate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-3-(4-chlorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-3-(4-chlorophenyl)propanoate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-3-(4-chlorophenyl)propionic acid ethyl ester Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C22H27ClN2O2S/c1-3-5-6-16-9-13-19(14-10-16)24-22(28)25-20(21(26)27-4-2)15-17-7-11-18(23)12-8-17/h7-14,20H,3-6,15H2,1-2H3,(H2,24,25,28)