N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C29H22ClN3O3S/c1-18-23(28-31-25-16-21(30)12-15-26(25)36-28)8-5-9-24(18)32-29(37)33-27(34)20-10-13-22(14-11-20)35-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H2,32,33,34,37)