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

Systemtic Name: N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC=C4C

InChI

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