2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: 2-(6-nitro-4-oxo-3-quinazolinyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c24-18(20-8-9-28-12-14-4-2-1-3-5-14)11-22-13-21-17-7-6-15(23(26)27)10-16(17)19(22)25/h1-7,10,13H,8-9,11-12H2,(H,20,24)