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

Systemtic Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-propan-2-ylphenyl)thiourea Openeye Name: 1-(2-isopropylphenyl)-3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-propan-2-ylphenyl)thiourea IUPAC Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-propan-2-ylphenyl)thiourea Traditional Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-o-cumenyl-thiourea Formula: C22H31N4S+ MolecularWeight: 383.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=S)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=S)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C22H30N4S/c1-16(2)19-7-5-6-8-21(19)24-22(27)23-20-10-9-18(15-17(20)3)26-13-11-25(4)12-14-26/h5-10,15-16H,11-14H2,1-4H3,(H2,23,24,27)/p+1