methyl 3-[(3-ethylphenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-ethylphenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-ethylphenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-ethylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-ethylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-ethylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C18H20N2O2S/c1-4-13-6-5-7-15(10-13)19-18(23)20-16-11-14(17(21)22-3)9-8-12(16)2/h5-11H,4H2,1-3H3,(H2,19,20,23)