N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C21H24N4O2S/c1-3-25(4-2)13-16-8-6-5-7-15(16)12-22-19(26)14-9-10-17-18(11-14)23-21(28)24-20(17)27/h5-11H,3-4,12-13H2,1-2H3,(H,22,26)(H2,23,24,27,28)