5-bromanyl-N-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[4-(3-oxo-3-pyrrolidin-1-yl-propyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-[3-oxo-3-(1-pyrrolidinyl)propyl]anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[4-(3-keto-3-pyrrolidino-propyl)phenyl]thiocarbamoyl]nicotinamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)CCC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c21-16-11-15(12-22-13-16)19(27)24-20(28)23-17-6-3-14(4-7-17)5-8-18(26)25-9-1-2-10-25/h3-4,6-7,11-13H,1-2,5,8-10H2,(H2,23,24,27,28)