(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H30N5OS+ MolecularWeight: 412.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=C(N(C3=S)C4CCCC4)C)C

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=C(N(C3=S)C4CCCC4)C)C

InChI

InChI=1S/C22H29N5OS/c1-4-25(13-20-23-19-12-8-7-11-18(19)21(28)24-20)14-26-15(2)16(3)27(22(26)29)17-9-5-6-10-17/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3,(H,23,24,28)/p+1