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

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-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=C(C=C3)Br)C(=O)NCC4CCCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S/c22-14-9-7-13(8-10-14)19(25)24-21-18(16-5-1-2-6-17(16)28-21)20(26)23-12-15-4-3-11-27-15/h7-10,15H,1-6,11-12H2,(H,23,26)(H,24,25)