5-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-triisopropylphenyl)pentanamide CAS Name: 5-(1,3-benzothiazol-2-ylthio)-2-(1-piperazinyl)-N-[2,4,6-tri(propan-2-yl)phenyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-2-piperazino-N-(2,4,6-triisopropylphenyl)valeramide Formula: C31H44N4OS2 MolecularWeight: 552.83726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3S2)N4CCNCC4)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3S2)N4CCNCC4)C(C)C

InChI

InChI=1S/C31H44N4OS2/c1-20(2)23-18-24(21(3)4)29(25(19-23)22(5)6)34-30(36)27(35-15-13-32-14-16-35)11-9-17-37-31-33-26-10-7-8-12-28(26)38-31/h7-8,10,12,18-22,27,32H,9,11,13-17H2,1-6H3,(H,34,36)