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

Systemtic Name: 3-[2-(1-benzothiophen-2-yl)-3-[2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[2-(benzothiophen-2-yl)-3-(2,5-dioxopyrrol-3-yl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[2-(1-benzothiophen-2-yl)-3-(2,5-dioxo-3-pyrrolyl)-1-indolyl]propyl ester IUPAC Name: 3-[2-(1-benzothiophen-2-yl)-3-(2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[2-(benzothiophen-2-yl)-3-(2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea Formula: C24H20N4O2S2 MolecularWeight: 460.5712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

InChI

InChI=1S/C24H20N4O2S2/c25-24(26)31-11-5-10-28-17-8-3-2-7-15(17)21(16-13-20(29)27-23(16)30)22(28)19-12-14-6-1-4-9-18(14)32-19/h1-4,6-9,12-13H,5,10-11H2,(H3,25,26)(H,27,29,30)