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

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-3-(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=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)Cl

InChI

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