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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(3-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=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC(=CC=C3)Cl

InChI

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