3-ethyl-N-(2-methyl-2-phenyl-propyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-(2-methyl-2-phenyl-propyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-(2-methyl-2-phenyl-propyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-(2-methyl-2-phenylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-(2-methyl-2-phenylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-neophyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H23N3O2S/c1-4-24-19(26)16-11-10-14(12-17(16)23-20(24)27)18(25)22-13-21(2,3)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,27)