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

Systemtic Name: 2-[(3,5-diethoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3,5-diethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3,5-diethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3,5-diethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OCC

InChI

InChI=1S/C21H26N2O4S/c1-3-26-14-10-13(11-15(12-14)27-4-2)20(25)23-21-18(19(22)24)16-8-6-5-7-9-17(16)28-21/h10-12H,3-9H2,1-2H3,(H2,22,24)(H,23,25)