N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-2-naphthamide Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C22H16BrN3O2S2/c1-28-19-9-8-15(11-17(19)23)18-12-30-22(24-18)26-21(29)25-20(27)16-7-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H2,24,25,26,27,29)