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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-28-17-9-4-13(5-10-17)20(27)26-22(30)24-16-7-2-14(3-8-16)21-25-18-12-15(23)6-11-19(18)29-21/h2-12H,1H3,(H2,24,26,27,30)