N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)Cl)C

InChI

InChI=1S/C25H22ClN3O4S/c1-13-10-14(2)22-18(11-13)28-24(33-22)16-12-15(8-9-17(16)26)27-25(34)29-23(30)21-19(31-3)6-5-7-20(21)32-4/h5-12H,1-4H3,(H2,27,29,30,34)