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

Systemtic Name: 1-methyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-phenethyl-thiourea Openeye Name: 1-methyl-1-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-phenethyl-thiourea CAS Name: 1-methyl-1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3-phenethylthiourea IUPAC Name: 1-methyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3-phenethylthiourea Traditional Name: 1-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-1-methyl-3-phenethyl-thiourea Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4OS/c1-20-7-6-10-22(17-20)18-27-13-15-28(16-14-27)23(29)19-26(2)24(30)25-12-11-21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3,(H,25,30)/p+1