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

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-methylbenzoyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(m-toluoylamino)-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H26N2O3S/c1-14-6-4-7-15(12-14)20(25)24-22-19(17-9-2-3-10-18(17)28-22)21(26)23-13-16-8-5-11-27-16/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,23,26)(H,24,25)