ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]azanium

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]azanium Openeye Name: ethyl-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]ammonium IUPAC Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]azanium Traditional Name: ethyl-[[2-(isopropylthio)benzimidazol-1-yl]methyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SC(C)C

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SC(C)C

InChI

InChI=1S/C22H25N5OS/c1-4-26(13-20-23-17-10-6-5-9-16(17)21(28)25-20)14-27-19-12-8-7-11-18(19)24-22(27)29-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25,28)/p+1