N-[2-(azepan-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c24-20(15-27-17-11-9-16(10-12-17)23(25)26)21-18-7-3-4-8-19(18)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,24)