3-[2-[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C23H34N4O2S/c1-17(21(28)24-18-11-6-4-5-7-12-18)30-23-25-20-14-9-8-13-19(20)22(29)27(23)16-10-15-26(2)3/h8-9,13-14,17-18H,4-7,10-12,15-16H2,1-3H3,(H,24,28)/p+1/t17-/m1/s1