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

Systemtic Name: 3-(4-methoxyphenyl)-1-methyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(4-methoxyphenyl)-1-methyl-1-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiourea CAS Name: 3-(4-methoxyphenyl)-1-methyl-1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thiourea IUPAC Name: 3-(4-methoxyphenyl)-1-methyl-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]-3-(4-methoxyphenyl)-1-methyl-thiourea Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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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=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N4O2S/c1-18-5-4-6-19(15-18)16-26-11-13-27(14-12-26)22(28)17-25(2)23(30)24-20-7-9-21(29-3)10-8-20/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,30)/p+1