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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C4=NC5=CC=CC=C5O4

InChI

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