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

Systemtic Name: N-methyl-2-[(3-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-methyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-2-[[oxo-(3-pentoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-methyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-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=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-3-4-7-13-27-16-10-8-9-15(14-16)20(25)24-22-19(21(26)23-2)17-11-5-6-12-18(17)28-22/h8-10,14H,3-7,11-13H2,1-2H3,(H,23,26)(H,24,25)