3-(3,4-dimethylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-methyl-thiourea Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4OS/c1-13-5-6-15(11-14(13)2)18-17(23)20(4)12-16(22)21-9-7-19(3)8-10-21/h5-6,11H,7-10,12H2,1-4H3,(H,18,23)/p+1