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

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenethylthiourea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Formula: C20H27N4S+ MolecularWeight: 355.52018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4S/c1-23-13-15-24(16-14-23)19-10-6-5-9-18(19)22-20(25)21-12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,21,22,25)/p+1