butyl 4-[(4-methylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-methylphenyl)methylcarbamothioylamino]benzoate Openeye Name: butyl 4-(p-tolylmethylcarbamothioylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-methylbenzyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O2S/c1-3-4-13-24-19(23)17-9-11-18(12-10-17)22-20(25)21-14-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,25)