3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-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-piperonyl-thiourea Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N4O3S/c1-19-5-7-21(8-6-19)16(22)11-20(2)17(25)18-10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,5-8,10-12H2,1-2H3,(H,18,25)/p+1