5-bromanyl-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]nicotinamide Formula: C17H16BrClN4O2S MolecularWeight: 455.75654

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)Cl

InChI

InChI=1S/C17H16BrClN4O2S/c18-12-7-11(9-20-10-12)16(24)22-17(26)21-13-1-2-15(14(19)8-13)23-3-5-25-6-4-23/h1-2,7-10H,3-6H2,(H2,21,22,24,26)