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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2S/c1-13-4-2-5-14(10-13)20(27)26-22(29)24-17-7-3-6-15(11-17)21-25-18-12-16(23)8-9-19(18)28-21/h2-12H,1H3,(H2,24,26,27,29)