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

Systemtic Name: 4-chloranyl-3,5-dimethyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-3,5-dimethyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-chloro-3,5-dimethyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3,5-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-chloro-3,5-dimethyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-12-9-14(10-13(2)18(12)21)19(26)23-20(30)22-15-3-4-16(17(11-15)25(27)28)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26,30)