2-benzamido-N-(4-pentoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-benzamido-N-(4-pentoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-benzamido-N-(4-pentoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-benzamido-N-(4-pentoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-benzamido-N-(4-pentoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-amoxyphenyl)-2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-2-3-9-18-32-21-16-14-20(15-17-21)28-26(31)24-22-12-7-8-13-23(22)33-27(24)29-25(30)19-10-5-4-6-11-19/h4-6,10-11,14-17H,2-3,7-9,12-13,18H2,1H3,(H,28,31)(H,29,30)