2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21N3O5S/c1-13(24)21-14-3-6-16(7-4-14)29-12-19(25)23-20(26)22-15-5-8-17-18(11-15)28-10-2-9-27-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H2,22,23,25,26)