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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

InChI

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