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

Systemtic Name: 2-[(3-butoxyphenyl)carbonylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-butoxybenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(3-butoxyphenyl)-oxomethyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-butoxybenzoyl)amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-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=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC

Isomeric SMILES

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

InChI

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