methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-4-13(2)14-8-10-16(11-9-14)20-19(24)21-17-7-5-6-15(12-17)18(22)23-3/h5-13H,4H2,1-3H3,(H2,20,21,24)