N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c24-20(22-16-7-8-17-18(13-16)27-10-3-9-26-17)14-4-1-5-15(12-14)23-21(25)19-6-2-11-28-19/h1-2,4-8,11-13H,3,9-10H2,(H,22,24)(H,23,25)