N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1-benzothiophene-6-carboxamide

Systemtic Name: N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1-benzothiophene-6-carboxamide Openeye Name: N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzothiophene-6-carboxamide CAS Name: N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]-1-benzothiophene-6-carboxamide IUPAC Name: N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1-benzothiophene-6-carboxamide Traditional Name: N-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzothiophene-6-carboxamide Formula: C27H35NOS MolecularWeight: 421.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)C=C(S2)C=C(C)C=CC3=C(CCCC3(C)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)C=C(S2)/C=C(\C)/C=C/C3=C(CCCC3(C)C)C

InChI

InChI=1S/C27H35NOS/c1-6-7-15-28-26(29)22-12-11-21-17-23(30-25(21)18-22)16-19(2)10-13-24-20(3)9-8-14-27(24,4)5/h10-13,16-18H,6-9,14-15H2,1-5H3,(H,28,29)/b13-10+,19-16+