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

Systemtic Name: N-(4-methylphenyl)-5-[1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[1-(phenylcarbamoyl)-3-piperidyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[1-[anilino(oxo)methyl]-3-piperidinyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[1-(phenylcarbamoyl)-3-piperidyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-15-9-11-18(12-10-15)23-19(28)21-26-25-20(30-21)16-6-5-13-27(14-16)22(29)24-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,23,28)(H,24,29)