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

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-methyl-1-(3-pyridylmethylcarbamoyl)butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-methyl-1-oxo-1-(3-pyridinylmethylamino)pentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-methyl-1-(3-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=CN=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

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

InChI

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