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

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C27H30ClN3O2S MolecularWeight: 496.064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30ClN3O2S/c28-23-11-4-9-22-10-5-12-24(27(22)23)34-20-26(33)31-16-6-15-30(17-18-31)19-25(32)29-14-13-21-7-2-1-3-8-21/h1-5,7-12H,6,13-20H2,(H,29,32)