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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H26N4OS/c1-19-10-12-21(13-11-19)16(22)14-20(2)17(23)18-9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,18,23)/p+1