N-(4-methoxyphenyl)-5-[1-(3-methylbutylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-5-[1-(3-methylbutylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[1-(isopentylcarbamoyl)-3-piperidyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methoxyphenyl)-5-[1-[(3-methylbutylamino)-oxomethyl]-3-piperidinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methoxyphenyl)-5-[1-(3-methylbutylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[1-(isoamylcarbamoyl)-3-piperidyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)N1CCCC(C1)C2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCNC(=O)N1CCCC(C1)C2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5O3S/c1-14(2)10-11-22-21(28)26-12-4-5-15(13-26)19-24-25-20(30-19)18(27)23-16-6-8-17(29-3)9-7-16/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,28)(H,23,27)