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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5)OC1

InChI

InChI=1S/C25H23N3O4S/c29-24(27-17-8-9-21-22(14-17)32-11-4-10-31-21)20(28-25(30)23-7-3-12-33-23)13-16-15-26-19-6-2-1-5-18(16)19/h1-3,5-9,12,14-15,20,26H,4,10-11,13H2,(H,27,29)(H,28,30)