N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C)Cl)C

InChI

InChI=1S/C25H22ClN3O2S/c1-13-5-7-18(15(3)9-13)23(30)29-25(32)28-20-12-17(6-8-19(20)26)24-27-21-11-14(2)10-16(4)22(21)31-24/h5-12H,1-4H3,(H2,28,29,30,32)