N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H18N4O2S2/c28-21(27-23-26-17-8-3-4-9-19(17)31-23)18(25-22(29)20-10-5-11-30-20)12-14-13-24-16-7-2-1-6-15(14)16/h1-11,13,18,24H,12H2,(H,25,29)(H,26,27,28)/t18-/m0/s1