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

Systemtic Name: 2-[[3-(2-methylpropoxy)phenyl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-isobutoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[[3-(2-methylpropoxy)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-isobutoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C21H26N2O3S/c1-13(2)12-26-15-8-6-7-14(11-15)20(25)23-21-18(19(22)24)16-9-4-3-5-10-17(16)27-21/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H2,22,24)(H,23,25)