N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxy-acetamide CAS Name: N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxyacetamide IUPAC Name: N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-2-phenoxy-acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)COC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)COC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c24-19(16-26-17-6-2-1-3-7-17)21-14-20(25)23-10-5-9-22(11-12-23)15-18-8-4-13-27-18/h1-4,6-8,13H,5,9-12,14-16H2,(H,21,24)