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

Systemtic Name: 4-chloranyl-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O5S/c20-14-6-5-12(11-16(14)24(27)28)17(25)22-19(30)21-15-4-2-1-3-13(15)18(26)23-7-9-29-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25,30)