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

Systemtic Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-4-carboxamide Openeye Name: N-isopentyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-4-carboxamide Traditional Name: N-isoamyl-1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)isonipecotamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H30N4O2S/c1-15(2)7-10-22-20(26)17-8-11-25(12-9-17)21-23-19(24-28-21)14-16-5-4-6-18(13-16)27-3/h4-6,13,15,17H,7-12,14H2,1-3H3,(H,22,26)