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

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

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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=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

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