methyl 3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-2-methylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S/c1-10-7-8-12(16(21)22-3)9-15(10)20-17(23)19-14-6-4-5-13(18)11(14)2/h4-9H,1-3H3,(H2,19,20,23)