4-(4-oxidanylidenequinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H23N3O2S/c25-20(22-12-14-27-15-17-7-2-1-3-8-17)11-6-13-24-16-23-19-10-5-4-9-18(19)21(24)26/h1-5,7-10,16H,6,11-15H2,(H,22,25)