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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-benzyloxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-benzoxy-benzamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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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=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

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