4-bromanyl-3-methyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-3-methyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-bromo-3-methyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-bromo-3-methyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-3-methyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-bromo-3-methyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O4S/c1-12-10-13(2-4-15(12)20)18(25)22-19(29)21-14-3-5-16(17(11-14)24(26)27)23-6-8-28-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)