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

Systemtic Name: N-(4-bromophenyl)-2-[2-(furan-2-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-[[2-(2-furylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[[2-(2-furanylmethylamino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[[2-(furan-2-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-[[2-(2-furfurylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CC=CO3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CC=CO3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c23-14-7-9-15(10-8-14)25-21(28)20-17-5-1-2-6-18(17)30-22(20)26-19(27)13-24-12-16-4-3-11-29-16/h3-4,7-11,24H,1-2,5-6,12-13H2,(H,25,28)(H,26,27)