2-[2-(2-nitrophenoxy)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(2-nitrophenoxy)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S/c28-21(15-32-19-12-6-5-11-18(19)27(30)31)26-24-22(17-10-4-7-13-20(17)33-24)23(29)25-14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12H,4,7,10,13-15H2,(H,25,29)(H,26,28)