(3S)-3-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylazepan-2-one

Systemtic Name: (3S)-3-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylazepan-2-one Openeye Name: (3S)-3-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylazepan-2-one CAS Name: (3S)-3-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-2-azepanone IUPAC Name: (3S)-3-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]azepan-2-one Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1S[C@H]3CCCCNC3=O

InChI

InChI=1S/C16H20ClN3OS/c1-2-9-20-13-7-6-11(17)10-12(13)19-16(20)22-14-5-3-4-8-18-15(14)21/h6-7,10,14H,2-5,8-9H2,1H3,(H,18,21)/t14-/m0/s1