N-[(3-chlorophenyl)methyl]-4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-(3-chlorobenzyl)-4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]butyramide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c22-16-6-3-5-15(13-16)14-24-19(27)9-4-11-26-20(28)17-7-1-2-8-18(17)25-21(26)29-12-10-23/h1-3,5-8,13H,4,9,11-12,14H2,(H,24,27)