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

Systemtic Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H15Cl2N3O3S MolecularWeight: 472.3438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H15Cl2N3O3S/c1-29-18-5-3-2-4-14(18)20(28)27-22(31)25-13-7-9-19-17(11-13)26-21(30-19)12-6-8-15(23)16(24)10-12/h2-11H,1H3,(H2,25,27,28,31)