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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-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=CSC=C4)OC1

Isomeric SMILES

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

InChI

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