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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c22-15-6-3-13(4-7-15)12-25-20(27)17-8-5-14(10-18(17)24-21(25)29)19(26)23-11-16-2-1-9-28-16/h1-10H,11-12H2,(H,23,26)(H,24,29)