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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3CCCN=C=S)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3CCCN=C=S)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

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