N-[(2S)-1-[2-(5-fluoranyl-1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-[2-(5-fluoranyl-1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C25H22FN5O2S MolecularWeight: 475.537883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CNC2=C1C=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CNC2=C1C=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C25H22FN5O2S/c1-15(23(32)27-9-8-17-14-28-20-7-5-18(26)13-19(17)20)29-24(33)16-4-6-21-22(12-16)34-25(30-21)31-10-2-3-11-31/h2-7,10-15,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t15-/m0/s1