1-methyl-3-(4-methylphenyl)-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 1-methyl-3-(4-methylphenyl)-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiourea Openeye Name: 1-methyl-1-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-(p-tolyl)thiourea CAS Name: 1-methyl-3-(4-methylphenyl)-1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thiourea IUPAC Name: 1-methyl-3-(4-methylphenyl)-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiourea Traditional Name: 1-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-1-methyl-3-(p-tolyl)thiourea Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H30N4OS/c1-18-7-9-21(10-8-18)24-23(29)25(3)17-22(28)27-13-11-26(12-14-27)16-20-6-4-5-19(2)15-20/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,29)/p+1