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

Systemtic Name: 3-cyclohexyl-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

InChI

InChI=1S/C27H25N3O3S/c31-25(28-19-12-14-22(15-13-19)33-21-9-5-2-6-10-21)18-11-16-23-24(17-18)29-27(34)30(26(23)32)20-7-3-1-4-8-20/h2,5-6,9-17,20H,1,3-4,7-8H2,(H,28,31)(H,29,34)