3-chloranyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H21ClN2O2S/c1-14(2)16-10-11-21-20(12-16)29-26(31-21)17-9-8-15(3)19(13-17)28-25(30)24-23(27)18-6-4-5-7-22(18)32-24/h4-14H,1-3H3,(H,28,30)