2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)-(2-thienyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(4-fluorophenyl)-(2-thienyl)methyl]acetamide Formula: C22H20FNO3S2 MolecularWeight: 429.527503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)OC1

InChI

InChI=1S/C22H20FNO3S2/c23-16-6-4-15(5-7-16)22(20-3-1-12-28-20)24-21(25)14-29-17-8-9-18-19(13-17)27-11-2-10-26-18/h1,3-9,12-13,22H,2,10-11,14H2,(H,24,25)