(2S)-N-cyclohexyl-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: (2S)-N-cyclohexyl-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: (2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-N-cyclohexyl-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: (2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)NC2CCCCC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N5OS/c1-16-15-25(12-13-26(16)20(27)22-18-10-6-3-7-11-18)21-23-19(24-28-21)14-17-8-4-2-5-9-17/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,22,27)/t16-/m0/s1