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

Systemtic Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H25N3O3S/c1-2-20-8-10-23(11-9-20)29-32-26-18-24(14-17-27(26)36-29)31-30(37)33-28(34)22-12-15-25(16-13-22)35-19-21-6-4-3-5-7-21/h3-18H,2,19H2,1H3,(H2,31,33,34,37)