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

Systemtic Name: N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(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=C(C=C3)NC(=O)C4=CC=CS4)Cl)OC1

Isomeric SMILES

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

InChI

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