methyl 4-methyl-3-(propan-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(propan-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 3-(isopropylcarbamothioylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(propan-2-ylcarbamothioylamino)benzoate Traditional Name: 3-(isopropylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-8(2)14-13(18)15-11-7-10(12(16)17-4)6-5-9(11)3/h5-8H,1-4H3,(H2,14,15,18)