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

Systemtic Name: 2-[2-(3-methanoylindol-1-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(3-formyl-1-indolyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C4=CC=CC=C43)C=O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C4=CC=CC=C43)C=O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-17-19-15-30(22-12-6-4-10-20(19)22)16-24(32)29-27-25(21-11-5-7-13-23(21)34-27)26(33)28-14-18-8-2-1-3-9-18/h1-4,6,8-10,12,15,17H,5,7,11,13-14,16H2,(H,28,33)(H,29,32)