N-[(3-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(3-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(m-tolylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-methylbenzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-15-6-4-7-16(12-15)13-21-18(26)17-8-5-11-25(14-17)20-23-22-19(27-20)24-9-2-3-10-24/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,26)