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

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[(3-cyclopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(3-cyclopentyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl-diethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-3-23(4-2)12-11-21-18(25)14-9-10-16-17(13-14)22-20(27)24(19(16)26)15-7-5-6-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,21,25)(H,22,27)/p+1