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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-15-9-10-16(2)17(14-15)22-19(27)18-8-7-13-26(18)21-24-23-20(28-21)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,27)