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

Systemtic Name: 3,4-dimethyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4-dimethyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4-dimethyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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