3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C24H25N3O2S MolecularWeight: 419.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C24H25N3O2S/c1-29-22-15-19-7-3-2-6-18(19)14-21(22)23(28)26-24(30)25-20-10-8-17(9-11-20)16-27-12-4-5-13-27/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H2,25,26,28,30)