5-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(3-chloro-4-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=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)Cl

Isomeric SMILES

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

InChI

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