N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S/c1-12-2-3-13(10-17(12)24(26)27)18(25)22-19(29)21-15-11-14(20)4-5-16(15)23-6-8-28-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)