2-(3-aminophenyl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(3-aminophenyl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(3-aminophenyl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(3-aminophenyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(3-aminophenyl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(3-aminophenyl)thio]-1-(azepan-1-yl)ethanone Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CC=CC(=C2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CC=CC(=C2)N

InChI

InChI=1S/C14H20N2OS/c15-12-6-5-7-13(10-12)18-11-14(17)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11,15H2