3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]-1-indolyl]propyl ester IUPAC Name: 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[5-cyano-3-(1H-indol-3-yl)-2-keto-4-imidazolin-4-yl]indol-1-yl]propyl]isothiourea Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C24H21N7OS/c25-12-19-22(31(24(32)29-19)21-13-28-18-8-3-1-7-16(18)21)17-14-30(10-5-11-33-23(26)27)20-9-4-2-6-15(17)20/h1-4,6-9,13-14,28H,5,10-11H2,(H3,26,27)(H,29,32)