3-[(2-chlorophenyl)methyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(2-chlorophenyl)methyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(2-chlorophenyl)methyl]-7-[2-(diethylammonio)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[(2-chlorophenyl)methyl]-7-[[2-(diethylammonio)ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(2-chlorophenyl)methyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-chlorobenzyl)-7-[2-(diethylammonio)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-3-26(4-2)12-11-24-20(28)15-9-10-17-19(13-15)25-22(30)27(21(17)29)14-16-7-5-6-8-18(16)23/h5-10,13,29H,3-4,11-12,14H2,1-2H3,(H,24,28)