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

Systemtic Name: 1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]hexan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)N1CCN(C[C@@H]1C)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-3-4-6-11-19(25)24-13-12-23(15-16(24)2)20-21-18(22-26-20)14-17-9-7-5-8-10-17/h5,7-10,16H,3-4,6,11-15H2,1-2H3/t16-/m0/s1