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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(p-tolylmethyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylphenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methylbenzyl)pyrrole-2-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C21H25N5OS/c1-16-8-10-17(11-9-16)15-22-19(27)18-7-6-14-26(18)21-24-23-20(28-21)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,27)