N-[2-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)-4-chloro-phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-4-chlorophenyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)-4-chlorophenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)-4-chloro-phenyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H23ClN2O3S/c1-13-17(26-11-10-25-13)18(23)21-16-7-6-14(20)12-15(16)19(24)22-8-4-2-3-5-9-22/h6-7,12H,2-5,8-11H2,1H3,(H,21,23)