methyl 3-[(4-butylphenyl)carbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

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