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

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4,5-dimethoxy-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4,5-dimethoxy-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4,5-dimethoxy-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4,5-dimethoxyindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4,5-dimethoxy-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN=C=S)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN=C=S)OC

InChI

InChI=1S/C26H22N4O4S/c1-33-20-9-8-19-21(24(20)34-2)17(13-30(19)11-5-10-27-14-35)23-22(25(31)29-26(23)32)16-12-28-18-7-4-3-6-15(16)18/h3-4,6-9,12-13,28H,5,10-11H2,1-2H3,(H,29,31,32)