5-bromanyl-2-methoxy-3-methyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H20BrN3O3S MolecularWeight: 546.435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)OC

InChI

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