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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-3-4-16-32-21-13-11-20(12-14-21)28-26(31)24-22-15-10-18(2)17-23(22)33-27(24)29-25(30)19-8-6-5-7-9-19/h5-9,11-14,18H,3-4,10,15-17H2,1-2H3,(H,28,31)(H,29,30)