methyl 3-[[2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[2-[(4-acetyl-3-methylphenoxy)methyl]-4-morpholinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=C(SC=C3C)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=C(SC=C3C)C(=O)OC)C(=O)C

InChI

InChI=1S/C22H26N2O5S2/c1-13-9-16(5-6-18(13)15(3)25)29-11-17-10-24(7-8-28-17)22(30)23-19-14(2)12-31-20(19)21(26)27-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3,(H,23,30)