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

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3-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/c19-15-11-13(4-5-16(15)22-6-8-27-9-7-22)20-18(28)21-17(24)12-2-1-3-14(10-12)23(25)26/h1-5,10-11H,6-9H2,(H2,20,21,24,28)