1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 3-(4-isopropylphenyl)-1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiourea CAS Name: 1-methyl-1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-methyl-1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-methyl-3-p-cumenyl-thiourea Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c1-14(2)15-5-7-16(8-6-15)19-18(24)21(4)13-17(23)22-11-9-20(3)10-12-22/h5-8,14H,9-13H2,1-4H3,(H,19,24)/p+1