N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[7-(methylamino)-6-nitro-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[7-(methylamino)-6-nitro-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[7-(methylamino)-6-nitro-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[7-(methylamino)-6-nitro-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[7-(methylamino)-6-nitro-4-oxoquinazolin-3-yl]acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-keto-7-(methylamino)-6-nitro-quinazolin-3-yl]acetamide Formula: C23H18ClN5O4S MolecularWeight: 495.93812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN5O4S/c1-25-19-11-18-16(10-20(19)29(32)33)23(31)28(13-26-18)12-22(30)27-17-4-2-3-5-21(17)34-15-8-6-14(24)7-9-15/h2-11,13,25H,12H2,1H3,(H,27,30)