2-[(4-methylphenyl)carbonylamino]-N-(oxan-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]-N-(oxan-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-methylbenzoyl)amino]-N-tetrahydropyran-4-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-N-(4-oxanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-methylbenzoyl)amino]-N-(oxan-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(p-toluoylamino)-N-tetrahydropyran-4-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCOCC4

InChI

InChI=1S/C22H26N2O3S/c1-14-6-8-15(9-7-14)20(25)24-22-19(17-4-2-3-5-18(17)28-22)21(26)23-16-10-12-27-13-11-16/h6-9,16H,2-5,10-13H2,1H3,(H,23,26)(H,24,25)