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

Systemtic Name: 4-(diethylamino)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-4-(diethylamino)benzamide CAS Name: 4-(diethylamino)-N-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-4-(diethylamino)benzamide Traditional Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-4-(diethylamino)benzamide Formula: C29H35N4OS+ MolecularWeight: 487.6794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4OS/c1-3-31(4-2)26-17-15-25(16-18-26)28(34)30-29(35)33-21-19-32(20-22-33)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,27H,3-4,19-22H2,1-2H3,(H,30,34,35)/p+1