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

Systemtic Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C23H18ClN3O4S MolecularWeight: 467.92472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C23H18ClN3O4S/c1-29-15-9-13(10-16(12-15)30-2)21(28)27-23(32)25-14-7-8-20-19(11-14)26-22(31-20)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H2,25,27,28,32)