butyl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(C)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(C)CC

InChI

InChI=1S/C22H28N2O2S/c1-4-6-15-26-21(25)18-9-13-20(14-10-18)24-22(27)23-19-11-7-17(8-12-19)16(3)5-2/h7-14,16H,4-6,15H2,1-3H3,(H2,23,24,27)