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

Systemtic Name: 4-bromanyl-3-methoxy-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C27H20BrN3O3S MolecularWeight: 546.435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CC1=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/C27H20BrN3O3S/c1-15-7-9-16(10-8-15)26-30-21-14-18(11-12-22(21)34-26)29-27(35)31-25(32)20-13-17-5-3-4-6-19(17)23(28)24(20)33-2/h3-14H,1-2H3,(H2,29,31,32,35)