N-(2,3-dimethylphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2,3-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2,3-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2,3-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C26H30N3S+ MolecularWeight: 416.6015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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