3-chloranyl-7-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(2-p-cumenyl-1,3-benzoxazol-5-yl)benzothiophene-2-carboxamide Formula: C25H18ClN3O4S MolecularWeight: 491.94612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H18ClN3O4S/c1-13(2)14-6-8-15(9-7-14)25-28-18-12-16(10-11-20(18)33-25)27-24(30)23-21(26)17-4-3-5-19(29(31)32)22(17)34-23/h3-13H,1-2H3,(H,27,30)