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

Systemtic Name: (2S)-N-butyl-2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: (2S)-N-butyl-2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: (2S)-N-butyl-2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: (2S)-N-butyl-2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Traditional Name: (2S)-N-butyl-2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-4-5-10-21-19(26)25-12-11-24(14-16(25)3)20-22-18(23-27-20)13-17-8-6-15(2)7-9-17/h6-9,16H,4-5,10-14H2,1-3H3,(H,21,26)/t16-/m0/s1