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

Systemtic Name: ethanoic acid; 3-[3-[3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: acetic acid; 2-[3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl]isothiourea CAS Name: acetic acid; carbamimidothioic acid 3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]-1-indolyl]propyl ester IUPAC Name: acetic acid; 3-[3-[3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: acetic acid; 2-[3-[3-[3-(1H-indol-3-yl)-2-keto-4-imidazolin-4-yl]indol-1-yl]propyl]isothiourea Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6OS.C2H4O2/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;1-2(3)4/h1-4,6-9,12-14,26H,5,10-11H2,(H3,24,25)(H,27,30);1H3,(H,3,4)