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

Systemtic Name: 3-cyclopentyl-1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-3-cyclopentyl-propan-1-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CCC2CCCC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c1-17-16-25(13-14-26(17)21(27)12-11-18-7-5-6-8-18)22-23-20(24-28-22)15-19-9-3-2-4-10-19/h2-4,9-10,17-18H,5-8,11-16H2,1H3/t17-/m0/s1