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

Systemtic Name: 4-oxidanylidene-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[2-(isopropoxymethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(isopropoxymethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C23H25N3O3S/c1-4-11-26-22(28)19-10-9-16(12-20(19)25-23(26)30)21(27)24-13-17-7-5-6-8-18(17)14-29-15(2)3/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,24,27)(H,25,30)