2-(2-indol-1-ylethanoylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-indol-1-ylethanoylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(2-indol-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-indolyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(2-indol-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(2-indol-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-23(17-29-15-14-19-10-4-6-12-21(19)29)28-26-24(20-11-5-7-13-22(20)32-26)25(31)27-16-18-8-2-1-3-9-18/h1-4,6,8-10,12,14-15H,5,7,11,13,16-17H2,(H,27,31)(H,28,30)