3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxy-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxy-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxy-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxy-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxyindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-methoxy-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2CCCN=C=S)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2CCCN=C=S)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H20N4O3S/c1-32-15-7-8-17-19(13-29(21(17)11-15)10-4-9-26-14-33)23-22(24(30)28-25(23)31)18-12-27-20-6-3-2-5-16(18)20/h2-3,5-8,11-13,27H,4,9-10H2,1H3,(H,28,30,31)