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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C22H15Cl2N3O2S MolecularWeight: 456.3444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2S/c1-12-3-2-4-13(9-12)20(28)27-22(30)25-15-6-7-17(24)16(11-15)21-26-18-10-14(23)5-8-19(18)29-21/h2-11H,1H3,(H2,25,27,28,30)