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

Systemtic Name: 1-methyl-3-(2-methylphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-methyl-3-(2-methylphenyl)-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiourea IUPAC Name: 1-methyl-3-(2-methylphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thiourea Traditional Name: 1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-methyl-3-(o-tolyl)thiourea Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N4OS/c1-13-6-4-5-7-14(13)17-16(22)19(3)12-15(21)20-10-8-18(2)9-11-20/h4-7H,8-12H2,1-3H3,(H,17,22)/p+1