2-[[2-(3-methylbutoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2-(3-methylbutoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-isopentyloxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3-methylbutoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-isoamoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H26N2O3S/c1-13(2)11-12-26-16-9-5-3-7-14(16)20(25)23-21-18(19(22)24)15-8-4-6-10-17(15)27-21/h3,5,7,9,13H,4,6,8,10-12H2,1-2H3,(H2,22,24)(H,23,25)