N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioyl-2-methyl-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioyl-2-methyl-benzamide Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-methyl-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-methylbenzamide Traditional Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-methyl-benzamide Formula: C26H28N3OS+ MolecularWeight: 430.58502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-20-10-8-9-15-23(20)25(30)27-26(31)29-18-16-28(17-19-29)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24H,16-19H2,1H3,(H,27,30,31)/p+1