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

Systemtic Name: 3-(5-azanyl-1H-indol-3-yl)-4-[5-azanyl-1-(3-isothiocyanatopropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(5-amino-1H-indol-3-yl)-4-[5-amino-1-(3-isothiocyanatopropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(5-amino-1H-indol-3-yl)-4-[5-amino-1-(3-isothiocyanatopropyl)-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(5-amino-1H-indol-3-yl)-4-[5-amino-1-(3-isothiocyanatopropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(5-amino-1H-indol-3-yl)-4-[5-amino-1-(3-isothiocyanatopropyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)N)CCCN=C=S

Isomeric SMILES

C1=CC2=C(C=C1N)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)N)CCCN=C=S

InChI

InChI=1S/C24H20N6O2S/c25-13-2-4-19-15(8-13)17(10-28-19)21-22(24(32)29-23(21)31)18-11-30(7-1-6-27-12-33)20-5-3-14(26)9-16(18)20/h2-5,8-11,28H,1,6-7,25-26H2,(H,29,31,32)