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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S/c1-13-6-3-4-7-16(13)21(28)27-23(30)26-18-9-5-8-17(14(18)2)22-25-19-12-15(24)10-11-20(19)29-22/h3-12H,1-2H3,(H2,26,27,28,30)