4-(4-oxidanylidenequinazolin-3-yl)-N-(3-phenylsulfanylpropyl)butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-(3-phenylsulfanylpropyl)butanamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-(3-phenylsulfanylpropyl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[3-(phenylthio)propyl]butanamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-(3-phenylsulfanylpropyl)butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[3-(phenylthio)propyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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