4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenethyl-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-(2-oxolanylmethyl)-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-(oxolan-2-ylmethyl)-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenethyl-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c26-20(23-14-17-7-4-12-28-17)16-8-9-18-19(13-16)24-22(29)25(21(18)27)11-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,26)(H,24,29)