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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2S/c23-15-6-4-13(5-7-15)10-20-26-18-12-17(8-9-19(18)29-20)25-22(30)27-21(28)14-2-1-3-16(24)11-14/h1-9,11-12H,10H2,(H2,25,27,28,30)