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

Systemtic Name: 1-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]nonan-1-one CAS Name: 1-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]nonan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]nonan-1-one Formula: C23H34N4OS MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H34N4OS/c1-3-4-5-6-7-11-14-22(28)27-16-15-26(18-19(27)2)23-24-21(25-29-23)17-20-12-9-8-10-13-20/h8-10,12-13,19H,3-7,11,14-18H2,1-2H3