dimethyl 5-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N4O4S2/c1-11-15(21-10-20-11)9-28-5-4-19-18(27)22-14-7-12(16(23)25-2)6-13(8-14)17(24)26-3/h6-8,10H,4-5,9H2,1-3H3,(H,20,21)(H2,19,22,27)