2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N)OC1

InChI

InChI=1S/C25H21N3O4S/c26-15-17-5-3-6-18(13-17)27-24(29)16-33-23-8-2-1-7-20(23)25(30)28-19-9-10-21-22(14-19)32-12-4-11-31-21/h1-3,5-10,13-14H,4,11-12,16H2,(H,27,29)(H,28,30)