methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-2-phenyl-acetate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-2-phenylacetate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-2-phenyl-acetic acid methyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-4-14-12-9-13-15(5-2)17(14)21-20(25)22-18(19(23)24-3)16-10-7-6-8-11-16/h6-13,18H,4-5H2,1-3H3,(H2,21,22,25)