N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14(19(27)23-13-15-6-8-22-9-7-15)24-20(28)16-4-5-17-18(12-16)29-21(25-17)26-10-2-3-11-26/h2-12,14H,13H2,1H3,(H,23,27)(H,24,28)/t14-/m0/s1