4-(phenylmethyl)-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(4-isopropylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-(4-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-p-cumenyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c1-17(2)19-8-10-20(11-9-19)22-21(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,22,25)/p+1