N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thenylthio)benzamide Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4)OC1

InChI

InChI=1S/C21H19NO3S2/c23-21(22-15-8-9-18-19(13-15)25-11-4-10-24-18)17-6-1-2-7-20(17)27-14-16-5-3-12-26-16/h1-3,5-9,12-13H,4,10-11,14H2,(H,22,23)