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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)OC)CCCN=C=S

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)OC)CCCN=C=S

InChI

InChI=1S/C26H22N4O4S/c1-33-15-4-6-21-17(10-15)19(12-28-21)23-24(26(32)29-25(23)31)20-13-30(9-3-8-27-14-35)22-7-5-16(34-2)11-18(20)22/h4-7,10-13,28H,3,8-9H2,1-2H3,(H,29,31,32)