methyl 4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S2/c1-11-14(19-10-18-11)9-24-8-7-17-16(23)20-13-5-3-12(4-6-13)15(21)22-2/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H2,17,20,23)