N-(4-tert-butylphenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-tert-butylphenyl)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-tert-butylphenyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-tert-butylphenyl)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

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