N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-morpholino-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c20-18(24)12-29-17-4-2-1-3-14(17)21-19(25)13-5-6-15(16(11-13)23(26)27)22-7-9-28-10-8-22/h1-6,11H,7-10,12H2,(H2,20,24)(H,21,25)