dimethyl-[2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium Traditional Name: 2-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl-dimethyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

C[NH+](C)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C18H26N4O2S/c1-21(2)13-11-19-16(23)10-4-3-7-12-22-17(24)14-8-5-6-9-15(14)20-18(22)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,23)(H,20,25)/p+1