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

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(3-pyridylmethylcarbamoyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(3-pyridylmethylcarbamoyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-15(2)20(22(30)25-14-16-6-5-9-24-13-16)27-21(29)17-7-8-18-19(12-17)31-23(26-18)28-10-3-4-11-28/h3-13,15,20H,14H2,1-2H3,(H,25,30)(H,27,29)/t20-/m0/s1