2-(2-azanyl-6-chloranyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(2-azanyl-6-chloranyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(2-amino-6-chloro-phenyl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(2-amino-6-chlorophenyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(2-amino-6-chlorophenyl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(2-amino-6-chloro-phenyl)thio]-1-(azepan-1-yl)ethanone Formula: C14H19ClN2OS MolecularWeight: 298.83146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=CC=C2Cl)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=CC=C2Cl)N

InChI

InChI=1S/C14H19ClN2OS/c15-11-6-5-7-12(16)14(11)19-10-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,16H2