3-(1-benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1-benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1-benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1-benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(benzothiophen-3-yl)-4-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)