3-[3-[2,5-bis(oxidanylidene)pyrrol-3-yl]-2-phenyl-indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[2,5-bis(oxidanylidene)pyrrol-3-yl]-2-phenyl-indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-(2,5-dioxopyrrol-3-yl)-2-phenyl-indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-(2,5-dioxo-3-pyrrolyl)-2-phenyl-1-indolyl]propyl ester IUPAC Name: 3-[3-(2,5-dioxopyrrol-3-yl)-2-phenylindol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-(2,5-diketo-3-pyrrolin-3-yl)-2-phenyl-indol-1-yl]propyl]isothiourea Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCCSC(=N)N)C4=CC(=O)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCCSC(=N)N)C4=CC(=O)NC4=O

InChI

InChI=1S/C22H20N4O2S/c23-22(24)29-12-6-11-26-17-10-5-4-9-15(17)19(16-13-18(27)25-21(16)28)20(26)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H3,23,24)(H,25,27,28)