2-[(4-cyanophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C24H20N2O3S/c25-15-17-6-8-18(9-7-17)16-30-23-5-2-1-4-20(23)24(27)26-19-10-11-21-22(14-19)29-13-3-12-28-21/h1-2,4-11,14H,3,12-13,16H2,(H,26,27)