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

Systemtic Name: 1-methyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiourea CAS Name: 1-methyl-1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiourea Traditional Name: 3-benzyl-1-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-1-methyl-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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4OS/c1-19-7-6-10-21(15-19)17-26-11-13-27(14-12-26)22(28)18-25(2)23(29)24-16-20-8-4-3-5-9-20/h3-10,15H,11-14,16-18H2,1-2H3,(H,24,29)/p+1