2-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-cyclopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-cyclopentyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3

InChI

InChI=1S/C18H24N4O2S/c1-21(2)10-9-19-16(23)12-7-8-14-15(11-12)20-18(25)22(17(14)24)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,23)(H,20,25)/p+1