2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide

Systemtic Name: 2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide Openeye Name: 2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2-nitro-5-propylsulfanyl-phenyl)acetamide CAS Name: 2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[2-nitro-5-(propylthio)phenyl]acetamide IUPAC Name: 2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2-nitro-5-propylsulfanylphenyl)acetamide Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]-N-[2-nitro-5-(propylthio)phenyl]acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H23N5O4S/c1-3-10-31-14-8-9-18(26(29)30)17(11-14)23-20(27)13-25(2)12-19-22-16-7-5-4-6-15(16)21(28)24-19/h4-9,11H,3,10,12-13H2,1-2H3,(H,23,27)(H,22,24,28)