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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]thiophene-3-carboxamide Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=CS3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=CS3)C(=O)N)OC1

InChI

InChI=1S/C16H16N2O4S2/c17-15(20)11-4-7-23-16(11)18-14(19)9-24-10-2-3-12-13(8-10)22-6-1-5-21-12/h2-4,7-8H,1,5-6,9H2,(H2,17,20)(H,18,19)