ethyl 4-[(2-butylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-butylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-butylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-butylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-butylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O2S/c1-3-5-8-15-9-6-7-10-18(15)22-20(25)21-17-13-11-16(12-14-17)19(23)24-4-2/h6-7,9-14H,3-5,8H2,1-2H3,(H2,21,22,25)