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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

InChI

InChI=1S/C22H25N3O3S/c1-13-5-3-7-18(14(13)2)23-20(26)15-8-9-17-19(11-15)24-22(29)25(21(17)27)12-16-6-4-10-28-16/h4,6,8-11,13-14,18H,3,5,7,12H2,1-2H3,(H,23,26)(H,24,29)