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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H20ClN3O2S MolecularWeight: 497.9953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C28H20ClN3O2S/c1-17-22(27-30-24-16-21(29)14-15-25(24)34-27)8-5-9-23(17)31-28(35)32-26(33)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-16H,1H3,(H2,31,32,33,35)