N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4

InChI

InChI=1S/C21H24N2O2S/c24-20(15-7-4-8-15)23-17-9-3-5-14(11-17)13-22-21(25)19-12-16-6-1-2-10-18(16)26-19/h3,5,9,11-12,15H,1-2,4,6-8,10,13H2,(H,22,25)(H,23,24)