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

Systemtic Name: 2-[(2-bromophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-bromobenzoyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-bromobenzoyl)amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H23BrN2O3S/c22-16-9-3-1-7-14(16)19(25)24-21-18(15-8-2-4-10-17(15)28-21)20(26)23-12-13-6-5-11-27-13/h1,3,7,9,13H,2,4-6,8,10-12H2,(H,23,26)(H,24,25)