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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-piperonyl-thiourea Formula: C20H25N4O2S+ MolecularWeight: 385.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O2S/c1-23-8-10-24(11-9-23)17-5-3-2-4-16(17)22-20(27)21-13-15-6-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3,(H2,21,22,27)/p+1