N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)C

InChI

InChI=1S/C22H19N3O3S/c1-13-8-14(2)10-16(9-13)23-20(26)15-5-6-18-19(11-15)24-22(29)25(21(18)27)12-17-4-3-7-28-17/h3-11H,12H2,1-2H3,(H,23,26)(H,24,29)