N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]amino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)CNC(=O)C3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)CNC(=O)C3=CC=CS3)OC1

InChI

InChI=1S/C18H19N3O5S/c22-16(10-20-18(24)15-3-1-8-27-15)19-11-17(23)21-12-4-5-13-14(9-12)26-7-2-6-25-13/h1,3-5,8-9H,2,6-7,10-11H2,(H,19,22)(H,20,24)(H,21,23)