1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]thiourea Formula: C16H21ClN4O2S2 MolecularWeight: 400.94654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C16H21ClN4O2S2/c1-10-13(20-9-19-10)8-25-5-4-18-16(24)21-12-7-14(22-2)11(17)6-15(12)23-3/h6-7,9H,4-5,8H2,1-3H3,(H,19,20)(H2,18,21,24)