methyl 5-[[(4-ethylphenyl)carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(4-ethylphenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-ethylphenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-ethylphenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-ethylphenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C19H22N2O3S/c1-4-13-5-8-15(9-6-13)21-19(25)20-12-14-7-10-17(23-2)16(11-14)18(22)24-3/h5-11H,4,12H2,1-3H3,(H2,20,21,25)