4-bromanyl-3-methoxy-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C27H20BrN3O4S MolecularWeight: 562.4344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C27H20BrN3O4S/c1-33-18-10-7-15(8-11-18)26-30-21-14-17(9-12-22(21)35-26)29-27(36)31-25(32)20-13-16-5-3-4-6-19(16)23(28)24(20)34-2/h3-14H,1-2H3,(H2,29,31,32,36)