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

Systemtic Name: cyclohexyl-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: [(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: [(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-cyclohexylmethanone Traditional Name: [(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-cyclohexyl-methanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2CCCCC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N4OS/c1-16-15-24(12-13-25(16)20(26)18-10-6-3-7-11-18)21-22-19(23-27-21)14-17-8-4-2-5-9-17/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3/t16-/m0/s1