methyl 4-[(3,5-dimethylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,5-dimethylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,5-dimethylphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(3,5-dimethylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(3,5-dimethylbenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H20N2O2S/c1-12-8-13(2)10-14(9-12)11-19-18(23)20-16-6-4-15(5-7-16)17(21)22-3/h4-10H,11H2,1-3H3,(H2,19,20,23)