N-(1-phenylbutan-2-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1-phenylbutan-2-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1-benzylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1-phenylbutan-2-yl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(1-phenylbutan-2-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(1-benzylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-2-19(15-17-9-4-3-5-10-17)23-20(28)18-11-8-14-27(16-18)22-25-24-21(29-22)26-12-6-7-13-26/h3-7,9-10,12-13,18-19H,2,8,11,14-16H2,1H3,(H,23,28)