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

Systemtic Name: 2-[3-(1H-indol-3-yl)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[3-(1H-indol-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[3-(1H-indol-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[3-(1H-indol-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c31-24(15-14-19-17-28-22-12-6-4-10-20(19)22)30-27-25(21-11-5-7-13-23(21)33-27)26(32)29-16-18-8-2-1-3-9-18/h1-4,6,8-10,12,17,28H,5,7,11,13-16H2,(H,29,32)(H,30,31)