methyl 4-methyl-3-(2-methylpropylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-methylpropylcarbamothioylamino)benzoate Openeye Name: methyl 3-(isobutylcarbamothioylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(2-methylpropylcarbamothioylamino)benzoate Traditional Name: 3-(isobutylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC(C)C

InChI

InChI=1S/C14H20N2O2S/c1-9(2)8-15-14(19)16-12-7-11(13(17)18-4)6-5-10(12)3/h5-7,9H,8H2,1-4H3,(H2,15,16,19)