N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-ethyl-6-methylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

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