4-morpholin-4-yl-3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: N-(mesitylthiocarbamoyl)-4-morpholino-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-13-10-14(2)19(15(3)11-13)22-21(30)23-20(26)16-4-5-17(18(12-16)25(27)28)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H2,22,23,26,30)