N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]piazthiole-5-carboxamide Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4)C

InChI

InChI=1S/C22H16N4O2S/c1-12-8-13(2)20-19(9-12)24-22(28-20)15-4-3-5-16(10-15)23-21(27)14-6-7-17-18(11-14)26-29-25-17/h3-11H,1-2H3,(H,23,27)