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

Systemtic Name: 3-(4-azanylbutyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(4-aminobutyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(4-aminobutyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(4-aminobutyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(4-aminobutyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6OS/c27-12-6-7-13-31-24(33)14-23(25-29-16-22(30-25)18-8-2-1-3-9-18)32(26(31)34)17-19-15-28-21-11-5-4-10-20(19)21/h1-5,8-11,15-16,23,28H,6-7,12-14,17,27H2,(H,29,30)