3-[3-[3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]-1-indolyl]propyl ester IUPAC Name: 3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[3-(1H-indol-3-yl)-2-keto-4-imidazolin-4-yl]indol-1-yl]propyl]isothiourea Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)N3C(=CNC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)N3C(=CNC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C23H22N6OS/c24-22(25)31-11-5-10-28-14-17(15-6-2-4-9-19(15)28)21-13-27-23(30)29(21)20-12-26-18-8-3-1-7-16(18)20/h1-4,6-9,12-14,26H,5,10-11H2,(H3,24,25)(H,27,30)