1-cyclohexyl-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiourea CAS Name: 1-cyclohexyl-3-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiourea Formula: C20H33N4S+ MolecularWeight: 361.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=S)NC3CCCCC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=S)NC3CCCCC3)C

InChI

InChI=1S/C20H32N4S/c1-3-23-11-13-24(14-12-23)18-9-10-19(16(2)15-18)22-20(25)21-17-7-5-4-6-8-17/h9-10,15,17H,3-8,11-14H2,1-2H3,(H2,21,22,25)/p+1