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

Systemtic Name: 4-chloranyl-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[3-(5,6-dimethyl-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=C1C)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

InChI

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