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

Systemtic Name: N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O2S/c1-13-8-14(2)10-17(9-13)22(29)28-24(31)27-19-11-16(5-4-15(19)3)23-26-20-12-18(25)6-7-21(20)30-23/h4-12H,1-3H3,(H2,27,28,29,31)