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

Systemtic Name: 3-[1-(3-isothiocyanatopropyl)-5-phenylmethoxy-indol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-(5-benzyloxy-1H-indol-3-yl)-4-[5-benzyloxy-1-(3-isothiocyanatopropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-[1-(3-isothiocyanatopropyl)-5-phenylmethoxy-3-indolyl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-isothiocyanatopropyl)-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-(5-benzoxy-1H-indol-3-yl)-4-[5-benzoxy-1-(3-isothiocyanatopropyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C38H30N4O4S MolecularWeight: 638.7342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4=C(C(=O)NC4=O)C5=CN(C6=C5C=C(C=C6)OCC7=CC=CC=C7)CCCN=C=S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4=C(C(=O)NC4=O)C5=CN(C6=C5C=C(C=C6)OCC7=CC=CC=C7)CCCN=C=S

InChI

InChI=1S/C38H30N4O4S/c43-37-35(31-20-40-33-14-12-27(18-29(31)33)45-22-25-8-3-1-4-9-25)36(38(44)41-37)32-21-42(17-7-16-39-24-47)34-15-13-28(19-30(32)34)46-23-26-10-5-2-6-11-26/h1-6,8-15,18-21,40H,7,16-17,22-23H2,(H,41,43,44)