3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-phenylmethoxy-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-phenylmethoxy-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[5-benzyloxy-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-phenylmethoxy-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-phenylmethoxyindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-[5-benzoxy-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C31H24N4O3S MolecularWeight: 532.61226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65)CCCN=C=S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65)CCCN=C=S

InChI

InChI=1S/C31H24N4O3S/c36-30-28(24-16-33-26-10-5-4-9-22(24)26)29(31(37)34-30)25-17-35(14-6-13-32-19-39)27-12-11-21(15-23(25)27)38-18-20-7-2-1-3-8-20/h1-5,7-12,15-17,33H,6,13-14,18H2,(H,34,36,37)