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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-benzyl-pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(phenylmethyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-benzylpyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-benzyl-pyrrole-2-carboxamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c26-18(21-15-16-9-4-3-5-10-16)17-11-8-14-25(17)20-23-22-19(27-20)24-12-6-1-2-7-13-24/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,21,26)