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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-15(20(27)24-10-4-2-3-5-11-24)22-19(26)16-8-9-17-18(14-16)28-21(23-17)25-12-6-7-13-25/h6-9,12-15H,2-5,10-11H2,1H3,(H,22,26)/t15-/m0/s1