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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxyphenyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C20H23N5O2S/c1-27-16-9-6-8-15(14-16)21-18(26)17-10-7-13-25(17)20-23-22-19(28-20)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,26)