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

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-N-(2-furfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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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)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Br)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H19BrN2O3S/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/h3-4,7-11H,1-2,5-6,12H2,(H,23,26)(H,24,25)