N-[(2-aminocarbonylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-carbamoylphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-carbamoylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-carbamoylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-carbamoylphenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c20-17(25)13-3-1-2-4-14(13)21-19(30)22-18(26)12-5-6-15(16(11-12)24(27)28)23-7-9-29-10-8-23/h1-6,11H,7-10H2,(H2,20,25)(H2,21,22,26,30)