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

Systemtic Name: 2-[7-[(2-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[[(2-chlorophenyl)methylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-[(2-chlorobenzyl)carbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)NC1=S

InChI

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