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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thiophene-2-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C23H22N2O4S/c26-22(24-17-9-10-19-20(15-17)29-12-5-11-28-19)18(14-16-6-2-1-3-7-16)25-23(27)21-8-4-13-30-21/h1-4,6-10,13,15,18H,5,11-12,14H2,(H,24,26)(H,25,27)