5-bromanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C23H22BrN3OS MolecularWeight: 468.40928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C23H22BrN3OS/c24-21-8-4-5-18-19(21)6-3-7-20(18)22(28)26-23(29)25-17-11-9-16(10-12-17)15-27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H2,25,26,28,29)