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

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

Click to see the large picture

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