N-methyl-2-[(4-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-methyl-2-[(4-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-methyl-2-[(4-pentoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-methyl-2-[(4-pentoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-amoxybenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC

InChI

InChI=1S/C22H28N2O3S/c1-3-4-7-14-27-16-12-10-15(11-13-16)20(25)24-22-19(21(26)23-2)17-8-5-6-9-18(17)28-22/h10-13H,3-9,14H2,1-2H3,(H,23,26)(H,24,25)