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

Systemtic Name: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(4-butoxyphenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4OS/c1-3-4-17-27-21-11-7-19(8-12-21)24-22(28)23-18-5-9-20(10-6-18)26-15-13-25(2)14-16-26/h5-12H,3-4,13-17H2,1-2H3,(H2,23,24,28)/p+1