N-[2-(azepan-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H21N3OS/c24-20(15-9-10-17-19(13-15)25-14-21-17)22-16-7-3-4-8-18(16)23-11-5-1-2-6-12-23/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,22,24)