N-(3,5-dimethylphenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(3,5-dimethylphenyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(3,5-dimethylphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(3,5-dimethylphenyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C20H21N3O2S/c1-13-10-14(2)12-15(11-13)21-18(24)8-5-9-23-19(25)16-6-3-4-7-17(16)22-20(23)26/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,21,24)(H,22,26)