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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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