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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C21H13Cl2N3O2S MolecularWeight: 442.31782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N3O2S/c22-13-6-9-18-17(10-13)25-20(28-18)15-11-14(7-8-16(15)23)24-21(29)26-19(27)12-4-2-1-3-5-12/h1-11H,(H2,24,26,27,29)