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

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c19-14-11-12(5-6-16(14)22-7-9-27-10-8-22)20-18(28)21-17(24)13-3-1-2-4-15(13)23(25)26/h1-6,11H,7-10H2,(H2,20,21,24,28)