1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-(2,5-dimethyl-1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NN=C(S2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NN=C(S2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5OS/c1-15-8-9-16(2)26(15)21-24-23-20(28-21)25-12-10-18(11-13-25)19(27)22-14-17-6-4-3-5-7-17/h3-9,18H,10-14H2,1-2H3,(H,22,27)