N-(3,5-dimethylphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C26H30N3S+ MolecularWeight: 416.6015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3S/c1-20-17-21(2)19-24(18-20)27-26(30)29-15-13-28(14-16-29)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,25H,13-16H2,1-2H3,(H,27,30)/p+1