3-cyclohexyl-N-(2-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(2-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(2-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(2-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-N-(2-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-4-keto-N-(2-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-28-19-10-6-5-9-17(19)23-20(26)14-11-12-16-18(13-14)24-22(29)25(21(16)27)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,29)