3-[2-(2-acetamido-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-(2-acetamido-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-(2-acetamido-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[(2-acetamido-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-(2-acetamido-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[(2-acetamido-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C

InChI

InChI=1S/C19H26N4O3S/c1-4-22(5-2)11-8-12-23-18(26)15-9-6-7-10-16(15)21-19(23)27-13-17(25)20-14(3)24/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,20,24,25)/p+1