ethyl 3-methyl-4-(phenylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-methyl-4-(phenylcarbamothioylamino)benzoate Openeye Name: ethyl 3-methyl-4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(phenylcarbamothioylamino)benzoate Traditional Name: 3-methyl-4-(phenylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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