2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 2-[(2-oxo-3-azepanyl)thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-(2-oxoazepan-3-yl)sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

InChI

InChI=1S/C17H19N3O2S/c1-2-11-20-16(22)12-7-3-4-8-13(12)19-17(20)23-14-9-5-6-10-18-15(14)21/h2-4,7-8,14H,1,5-6,9-11H2,(H,18,21)