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

Systemtic Name: 3-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[(3-cyclopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[(3-cyclopentyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]propyl-diethyl-ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-3-24(4-2)13-7-12-22-19(26)15-10-11-17-18(14-15)23-21(28)25(20(17)27)16-8-5-6-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,28)/p+1