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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl

InChI

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