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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2S/c1-18-11-12-22(27-29-23-9-5-6-10-25(23)33-27)17-24(18)30-28(34)31-26(32)21-15-13-20(14-16-21)19-7-3-2-4-8-19/h2-17H,1H3,(H2,30,31,32,34)