4-(1-adamantyl)-N-(2,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-adamantyl)-N-(2,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-adamantyl)-N-(2,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-adamantyl)-N-(2,4-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-adamantyl)-N-(2,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-adamantyl)-N-(2,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C23H34N3S+ MolecularWeight: 384.60116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H33N3S/c1-16-3-4-21(17(2)9-16)24-22(27)25-5-7-26(8-6-25)23-13-18-10-19(14-23)12-20(11-18)15-23/h3-4,9,18-20H,5-8,10-15H2,1-2H3,(H,24,27)/p+1