1-[(4-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-p-anisyl-thiourea Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-23-11-13-24(14-12-23)19-6-4-3-5-18(19)22-20(26)21-15-16-7-9-17(25-2)10-8-16/h3-10H,11-15H2,1-2H3,(H2,21,22,26)/p+1