N-[(2-chlorophenyl)methyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(2-chlorobenzyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

InChI=1S/C19H18ClN3O2S/c20-15-8-3-1-6-13(15)12-21-17(24)10-5-11-23-18(25)14-7-2-4-9-16(14)22-19(23)26/h1-4,6-9H,5,10-12H2,(H,21,24)(H,22,26)