N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-methoxy-4-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-methoxy-4-(2-oxolanylmethoxy)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[3-methoxy-4-(tetrahydrofurfuryloxy)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC4CCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC4CCCO4

InChI

InChI=1S/C22H23N3O5S/c1-28-19-9-13(4-7-18(19)30-12-15-3-2-8-29-15)11-23-20(26)14-5-6-16-17(10-14)24-22(31)25-21(16)27/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,23,26)(H2,24,25,27,31)