2-[(4-butoxyphenyl)carbonylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(4-butoxybenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(4-butoxybenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(4-butoxybenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC

InChI

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