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

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-[(phenylmethyl)carbamoyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: 2-[7-(benzylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-[(phenylmethyl)amino]methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: 2-[7-(benzylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-(benzylcarbamoyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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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=C3)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H26N4O2S/c1-3-25(4-2)12-13-26-21(28)18-11-10-17(14-19(18)24-22(26)29)20(27)23-15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,27)(H,24,29)/p+1