3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-methyl-thiourea Formula: C17H26ClN4OS+ MolecularWeight: 369.93254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H25ClN4OS/c1-12-9-13(2)16(14(18)10-12)19-17(24)21(4)11-15(23)22-7-5-20(3)6-8-22/h9-10H,5-8,11H2,1-4H3,(H,19,24)/p+1