2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-isopentyl-piperazin-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylbutyl)-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-isoamyl-piperazin-2-yl]ethanol Formula: C19H29N3OS MolecularWeight: 347.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1CCO)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCN1CCN(C[C@@H]1CCO)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H29N3OS/c1-15(2)7-9-22-11-10-21(13-16(22)8-12-23)14-19-20-17-5-3-4-6-18(17)24-19/h3-6,15-16,23H,7-14H2,1-2H3/t16-/m0/s1