N-butyl-2-[2-(2-chloranylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-butyl-2-[2-(2-chloranylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-2-3-12-23-20(26)19-14-8-4-7-11-17(14)28-21(19)24-18(25)13-27-16-10-6-5-9-15(16)22/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,23,26)(H,24,25)