1-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-2,2-diphenyl-ethanone Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NS4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS/c1-21-20-31(28-29-25(30-34-28)19-22-11-5-2-6-12-22)17-18-32(21)27(33)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3