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

Systemtic Name: N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[1-(isobutylcarbamoyl)-3-piperidyl]-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(2-methylphenyl)-5-[1-[(2-methylpropylamino)-oxomethyl]-3-piperidinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(2-methylphenyl)-5-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[1-(isobutylcarbamoyl)-3-piperidyl]-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)C3CCCN(C3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)C3CCCN(C3)C(=O)NCC(C)C

InChI

InChI=1S/C20H27N5O2S/c1-13(2)11-21-20(27)25-10-6-8-15(12-25)18-23-24-19(28-18)17(26)22-16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,21,27)(H,22,26)