3-chloranyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-13-5-6-17(24-27-20-9-14(2)15(3)10-22(20)32-24)12-19(13)28-25(33)29-23(30)16-7-8-21(31-4)18(26)11-16/h5-12H,1-4H3,(H2,28,29,30,33)