N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]benzamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]benzamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]benzamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]phenyl]benzamide Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C24H21NO4S/c26-21(16-30-20-11-12-22-23(15-20)29-14-4-13-28-22)17-7-9-19(10-8-17)25-24(27)18-5-2-1-3-6-18/h1-3,5-12,15H,4,13-14,16H2,(H,25,27)