N-[(2S)-1-[2-(5-methoxy-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-methoxy-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-methoxy-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-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25N5O3S/c1-16(24(32)27-10-9-18-15-28-21-8-6-19(34-2)14-20(18)21)29-25(33)17-5-7-22-23(13-17)35-26(30-22)31-11-3-4-12-31/h3-8,11-16,28H,9-10H2,1-2H3,(H,27,32)(H,29,33)/t16-/m0/s1