N'-(3-aminocarbonylthiophen-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanediamide

Systemtic Name: N'-(3-aminocarbonylthiophen-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanediamide Openeye Name: N'-(3-carbamoyl-2-thienyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanediamide CAS Name: N'-(3-carbamoyl-2-thiophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanediamide IUPAC Name: N'-(3-carbamoylthiophen-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanediamide Traditional Name: N'-(3-carbamoyl-2-thienyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)succinamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC(=O)NC3=C(C=CS3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC(=O)NC3=C(C=CS3)C(=O)N)OC1

InChI

InChI=1S/C18H19N3O5S/c19-17(24)12-6-9-27-18(12)21-16(23)5-4-15(22)20-11-2-3-13-14(10-11)26-8-1-7-25-13/h2-3,6,9-10H,1,4-5,7-8H2,(H2,19,24)(H,20,22)(H,21,23)