ethyl 2-methyl-3-(phenylcarbamothioylamino)benzoate

Systemtic Name: ethyl 2-methyl-3-(phenylcarbamothioylamino)benzoate Openeye Name: ethyl 2-methyl-3-(phenylcarbamothioylamino)benzoate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-(phenylcarbamothioylamino)benzoate Traditional Name: 2-methyl-3-(phenylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=S)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=S)NC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2O2S/c1-3-21-16(20)14-10-7-11-15(12(14)2)19-17(22)18-13-8-5-4-6-9-13/h4-11H,3H2,1-2H3,(H2,18,19,22)