2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)OC1

InChI

InChI=1S/C22H20N2O4S2/c23-21(26)16-12-19(14-5-2-1-3-6-14)30-22(16)24-20(25)13-29-15-7-8-17-18(11-15)28-10-4-9-27-17/h1-3,5-8,11-12H,4,9-10,13H2,(H2,23,26)(H,24,25)