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

Systemtic Name: N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=C(C(=C4)C)C

InChI

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