2-(4-acetamidophenyl)sulfanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClN2O4S/c1-13(24)23-15-3-5-16(6-4-15)28-12-19(25)22-11-14-9-17(21)20-18(10-14)26-7-2-8-27-20/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,22,25)(H,23,24)