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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-3-methyl-1-(4-pyridylmethylcarbamoyl)butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-3-methyl-1-(4-pyridylmethylcarbamoyl)butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C24H25N5O2S/c1-16(2)13-20(23(31)26-15-17-7-9-25-10-8-17)27-22(30)18-5-6-19-21(14-18)32-24(28-19)29-11-3-4-12-29/h3-12,14,16,20H,13,15H2,1-2H3,(H,26,31)(H,27,30)/t20-/m0/s1