3-(4-azanylbutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 3-(4-azanylbutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 3-(4-aminobutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-thioxo-imidazolidin-4-one CAS Name: 3-(4-aminobutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 3-(4-aminobutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-(4-aminobutyl)-1-[2-(1H-indol-3-yl)ethyl]-5-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-thioxo-4-imidazolidinone Formula: C27H30N6OS MolecularWeight: 486.6317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)CC3C(=O)N(C(=S)N3CCC4=CNC5=CC=CC=C54)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)CC3C(=O)N(C(=S)N3CCC4=CNC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C27H30N6OS/c28-13-6-7-14-33-26(34)24(16-25-30-18-23(31-25)19-8-2-1-3-9-19)32(27(33)35)15-12-20-17-29-22-11-5-4-10-21(20)22/h1-5,8-11,17-18,24,29H,6-7,12-16,28H2,(H,30,31)