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

Systemtic Name: 2-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-bromo-3-formyl-1-indolyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(5-bromo-3-formylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H24BrN3O3S MolecularWeight: 550.46676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24BrN3O3S/c28-19-10-11-22-21(12-19)18(16-32)14-31(22)15-24(33)30-27-25(20-8-4-5-9-23(20)35-27)26(34)29-13-17-6-2-1-3-7-17/h1-3,6-7,10-12,14,16H,4-5,8-9,13,15H2,(H,29,34)(H,30,33)