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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18BrN3O3S/c1-13-15(22-25-18-7-3-4-9-20(18)30-22)6-5-8-17(13)26-23(31)27-21(28)16-12-14(24)10-11-19(16)29-2/h3-12H,1-2H3,(H2,26,27,28,31)