N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(diethylaminomethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-4-13-28-23(30)20-12-11-17(14-21(20)26-24(28)31)22(29)25-15-18-9-7-8-10-19(18)16-27(5-2)6-3/h4,7-12,14H,1,5-6,13,15-16H2,2-3H3,(H,25,29)(H,26,31)