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

Systemtic Name: 3-[3-[4-indol-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-(4-indol-1-yl-2,5-dioxo-pyrrol-3-yl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[4-(1-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[3-(4-indol-1-yl-2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-(4-indol-1-yl-2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea Formula: C24H21N5O2S MolecularWeight: 443.52084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C24H21N5O2S/c25-24(26)32-13-5-11-28-14-17(16-7-2-4-9-19(16)28)20-21(23(31)27-22(20)30)29-12-10-15-6-1-3-8-18(15)29/h1-4,6-10,12,14H,5,11,13H2,(H3,25,26)(H,27,30,31)