5-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-1-naphthamide Formula: C22H19BrClN3OS MolecularWeight: 488.82776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C22H19BrClN3OS/c23-17-9-4-6-14-15(17)7-3-8-16(14)21(28)26-22(29)25-19-11-5-10-18(24)20(19)27-12-1-2-13-27/h3-11H,1-2,12-13H2,(H2,25,26,28,29)