N-[(2S)-1-[2-(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-(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-(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-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C25H23N5O2S/c1-16(23(31)26-11-10-18-15-27-20-7-3-2-6-19(18)20)28-24(32)17-8-9-21-22(14-17)33-25(29-21)30-12-4-5-13-30/h2-9,12-16,27H,10-11H2,1H3,(H,26,31)(H,28,32)/t16-/m0/s1