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

Systemtic Name: 3,5-dimethyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-13-9-14(2)11-15(10-13)19(25)22-20(29)21-16-3-4-17(18(12-16)24(26)27)23-5-7-28-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,25,29)