3-(6-azanylhexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-(6-azanylhexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(6-aminohexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(6-aminohexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(6-aminohexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(6-aminohexyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C28H32N6OS MolecularWeight: 500.65828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=S)N(C1=O)CCCCCCN)CC2=CNC3=CC=CC=C32)C4=NC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C(=S)N(C1=O)CCCCCCN)CC2=CNC3=CC=CC=C32)C4=NC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N6OS/c29-14-8-1-2-9-15-33-26(35)16-25(27-31-18-24(32-27)20-10-4-3-5-11-20)34(28(33)36)19-21-17-30-23-13-7-6-12-22(21)23/h3-7,10-13,17-18,25,30H,1-2,8-9,14-16,19,29H2,(H,31,32)