2-(4-azanyl-2-chloranyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-2-chloranyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(4-amino-2-chloro-phenyl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(4-amino-2-chlorophenyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(4-amino-2-chlorophenyl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(4-amino-2-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=C(C=C2)N)Cl

Isomeric SMILES

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

InChI

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