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

Systemtic Name: 3-[6-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[6-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[6-(dimethylamino)-1-(3-isothiocyanatopropyl)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[6-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O2S/c1-30(2)16-8-9-18-20(14-31(22(18)12-16)11-5-10-27-15-34)24-23(25(32)29-26(24)33)19-13-28-21-7-4-3-6-17(19)21/h3-4,6-9,12-14,28H,5,10-11H2,1-2H3,(H,29,32,33)