3-methyl-4-oxidanylidene-N-[(1-phenylcyclobutyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(1-phenylcyclobutyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(1-phenylcyclobutyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[(1-phenylcyclobutyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[(1-phenylcyclobutyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-phenylcyclobutyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCC3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCC3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C21H21N3O2S/c1-24-19(26)16-9-8-14(12-17(16)23-20(24)27)18(25)22-13-21(10-5-11-21)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,25)(H,23,27)