3-(4-chloranyl-3-nitro-phenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chloro-3-nitro-phenyl)-N-[(2-morpholinophenyl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-chloro-3-nitrophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chloro-3-nitrophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chloro-3-nitro-phenyl)-N-[(2-morpholinophenyl)thiocarbamoyl]acrylamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4S/c21-15-7-5-14(13-18(15)25(27)28)6-8-19(26)23-20(30)22-16-3-1-2-4-17(16)24-9-11-29-12-10-24/h1-8,13H,9-12H2,(H2,22,23,26,30)