3-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]-N-phenethyl-propionamide Formula: C26H24N4O4S MolecularWeight: 488.55816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4S/c31-24(27-15-13-19-7-2-1-3-8-19)14-16-29-25(32)22-11-4-5-12-23(22)28-26(29)35-18-20-9-6-10-21(17-20)30(33)34/h1-12,17H,13-16,18H2,(H,27,31)