N-[3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl)OC1

InChI

InChI=1S/C22H19ClN2O4S/c23-17-10-14(11-18-20(17)29-8-3-7-28-18)13-24-21(26)15-4-1-5-16(12-15)25-22(27)19-6-2-9-30-19/h1-2,4-6,9-12H,3,7-8,13H2,(H,24,26)(H,25,27)