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

Systemtic Name: 5-[4-(3-methylbutylcarbamoyl)piperidin-1-yl]carbonyl-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[4-(isopentylcarbamoyl)piperidine-1-carbonyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[4-[(3-methylbutylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[4-(3-methylbutylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[4-(isoamylcarbamoyl)piperidine-1-carbonyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCC(CC3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCC(CC3)C(=O)NCCC(C)C

InChI

InChI=1S/C22H29N5O3S/c1-14(2)8-11-23-18(28)16-9-12-27(13-10-16)22(30)21-26-25-20(31-21)19(29)24-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3,(H,23,28)(H,24,29)