3-[(3-bromophenyl)methyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-4-keto-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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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)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O3S/c22-15-4-1-3-13(9-15)12-25-20(27)17-7-6-14(10-18(17)24-21(25)29)19(26)23-11-16-5-2-8-28-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,23,26)(H,24,29)