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

Systemtic Name: 2-[2-(5-bromanylindol-1-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-bromo-1-indolyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CC4=C3C=CC(=C4)Br)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CC4=C3C=CC(=C4)Br)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H24BrN3O2S/c27-19-10-11-21-18(14-19)12-13-30(21)16-23(31)29-26-24(20-8-4-5-9-22(20)33-26)25(32)28-15-17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9,15-16H2,(H,28,32)(H,29,31)