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

Systemtic Name: 3-chloranyl-4-methoxy-N-[(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[(2-methyl-5-morpholino-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[[2-methyl-5-(4-morpholinyl)-4-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-methoxy-N-[(2-methyl-5-morpholino-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c1-12-9-17(25(27)28)16(24-5-7-30-8-6-24)11-15(12)22-20(31)23-19(26)13-3-4-18(29-2)14(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26,31)