N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O2S/c25-20(15-27-21-23-17-10-4-6-12-19(17)26-21)22-16-9-3-5-11-18(16)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-15H2,(H,22,25)