N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H21N3O4S/c28-23(26-16-7-8-20-21(13-16)31-10-9-30-20)19(27-24(29)22-6-3-11-32-22)12-15-14-25-18-5-2-1-4-17(15)18/h1-8,11,13-14,19,25H,9-10,12H2,(H,26,28)(H,27,29)/t19-/m0/s1