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

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c21-8-7-14-1-4-16(5-2-14)22-20(30)23-19(26)15-3-6-17(18(13-15)25(27)28)24-9-11-29-12-10-24/h1-6,13H,7,9-12H2,(H2,22,23,26,30)