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

Systemtic Name: 3-(4-ethoxyphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-methyl-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-p-phenetyl-thiourea Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H26N4O2S/c1-4-23-15-7-5-14(6-8-15)18-17(24)20(3)13-16(22)21-11-9-19(2)10-12-21/h5-8H,4,9-13H2,1-3H3,(H,18,24)/p+1