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

Systemtic Name: 1-methyl-3-(2-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-(o-tolyl)thiourea CAS Name: 1-methyl-3-(2-methylphenyl)-1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thiourea IUPAC Name: 1-methyl-3-(2-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-(o-tolyl)thiourea Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NC3=CC=CC=C3C

InChI

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