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

Systemtic Name: 3-ethyl-N-(3-methyl-1-phenyl-butyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-(3-methyl-1-phenyl-butyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-(3-methyl-1-phenylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-(3-methyl-1-phenylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-(3-methyl-1-phenyl-butyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-4-25-21(27)17-11-10-16(13-19(17)24-22(25)28)20(26)23-18(12-14(2)3)15-8-6-5-7-9-15/h5-11,13-14,18H,4,12H2,1-3H3,(H,23,26)(H,24,28)