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

Systemtic Name: 4-chloranyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)C

InChI

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