N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2,4-ditert-amyloxyphenyl)butyl]benzothiophene-2-carboxamide Formula: C29H38ClNO3S MolecularWeight: 516.13492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC(C)(C)CC

Isomeric SMILES

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC(C)(C)CC

InChI

InChI=1S/C29H38ClNO3S/c1-7-28(3,4)33-21-17-16-20(23(19-21)34-29(5,6)8-2)13-11-12-18-31-27(32)26-25(30)22-14-9-10-15-24(22)35-26/h9-10,14-17,19H,7-8,11-13,18H2,1-6H3,(H,31,32)