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

Systemtic Name: 3-[3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-4-oxidanyl-indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[4-hydroxy-3-[4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[4-hydroxy-3-[4-(1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[4-hydroxy-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[4-hydroxy-3-[4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-3-yl]indol-1-yl]propyl]isothiourea Formula: C24H21N5O3S MolecularWeight: 459.52024

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(=CC=C5)O)CCCSC(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3S/c25-24(26)33-10-4-9-29-12-15(19-17(29)7-3-8-18(19)30)21-20(22(31)28-23(21)32)14-11-27-16-6-2-1-5-13(14)16/h1-3,5-8,11-12,27,30H,4,9-10H2,(H3,25,26)(H,28,31,32)