(3S)-N-hexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-hexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-hexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide CAS Name: (3S)-N-hexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-hexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-hexyl-1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)nipecotamide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCCN(C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCNC(=O)[C@H]1CCCN(C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H32N4O2S/c1-3-4-5-6-12-23-21(27)18-10-8-13-26(16-18)22-24-20(25-29-22)15-17-9-7-11-19(14-17)28-2/h7,9,11,14,18H,3-6,8,10,12-13,15-16H2,1-2H3,(H,23,27)/t18-/m0/s1