2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c18-12-4-3-5-13(10-12)22-9-8-20-17(22)25-11-15(23)21-14-6-1-2-7-19-16(14)24/h3-5,8-10,14H,1-2,6-7,11H2,(H,19,24)(H,21,23)