3-[3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-(trifluoromethyl)indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-(trifluoromethyl)indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-[4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]-5-(trifluoromethyl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[4-(1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-5-(trifluoromethyl)-1-indolyl]propyl ester IUPAC Name: 3-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-5-(trifluoromethyl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-3-yl]-5-(trifluoromethyl)indol-1-yl]propyl]isothiourea Formula: C25H20F3N5O2S MolecularWeight: 511.51881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)C(F)(F)F)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)C(F)(F)F)CCCSC(=N)N

InChI

InChI=1S/C25H20F3N5O2S/c26-25(27,28)13-6-7-19-15(10-13)17(12-33(19)8-3-9-36-24(29)30)21-20(22(34)32-23(21)35)16-11-31-18-5-2-1-4-14(16)18/h1-2,4-7,10-12,31H,3,8-9H2,(H3,29,30)(H,32,34,35)