propan-2-yl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C21H26N2O2S/c1-5-15(4)16-6-10-18(11-7-16)22-21(26)23-19-12-8-17(9-13-19)20(24)25-14(2)3/h6-15H,5H2,1-4H3,(H2,22,23,26)