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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

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