4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-trimethylpyridin-3-yl)butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-trimethylpyridin-3-yl)butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-trimethyl-3-pyridyl)butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-2-(1-piperazinyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-trimethylpyridin-3-yl)butanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-2-piperazino-N-(2,4,6-trimethyl-3-pyridyl)butyramide Formula: C23H29N5O2S MolecularWeight: 439.57366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C)C

Isomeric SMILES

CC1=CC(=NC(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C)C

InChI

InChI=1S/C23H29N5O2S/c1-15-14-16(2)25-17(3)21(15)27-22(29)19(28-11-9-24-10-12-28)8-13-31-23-26-18-6-4-5-7-20(18)30-23/h4-7,14,19,24H,8-13H2,1-3H3,(H,27,29)