1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C30H31N4OS+ MolecularWeight: 495.65834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C30H30N4OS/c1-22-27(23(2)35)29(31-30(36)34(22)26-16-10-5-11-17-26)33-20-18-32(19-21-33)28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,28H,18-21H2,1-2H3/p+1