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

Systemtic Name: methyl 2-[4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylthiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S2/c1-12-15(20-11-19-12)10-25-8-7-18-17(24)21-14-5-3-13(4-6-14)9-16(22)23-2/h3-6,11H,7-10H2,1-2H3,(H,19,20)(H2,18,21,24)