N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-19-8-5-6-13-24(19)28-31-25-17-22(14-15-26(25)35-28)30-29(36)32-27(33)21-11-7-12-23(16-21)34-18-20-9-3-2-4-10-20/h2-17H,18H2,1H3,(H2,30,32,33,36)