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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)Br

InChI

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