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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Cl

InChI

InChI=1S/C19H19ClN4O5S/c1-28-17-5-2-12(10-15(17)20)21-19(30)22-18(25)14-11-13(24(26)27)3-4-16(14)23-6-8-29-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,30)