2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O2S/c26-21-11-4-7-19-8-5-12-22(25(19)21)32-18-24(31)29-14-6-13-28(15-16-29)17-23(30)27-20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2,(H,27,30)