N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanamide

Systemtic Name: N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanamide Openeye Name: N-[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]phenyl]-2-chloro-4,4-dimethyl-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanyl-pentanamide CAS Name: N-[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]phenyl]-2-chloro-4,4-dimethyl-3-oxo-2-[(1-phenyl-5-tetrazolyl)thio]pentanamide IUPAC Name: N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloro-4,4-dimethyl-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpentanamide Traditional Name: 2-chloro-N-[3-[4-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]-3-keto-4,4-dimethyl-2-[(1-phenyltetrazol-5-yl)thio]valeramide Formula: C40H51ClN6O4S MolecularWeight: 747.38874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)(SC3=NN=NN3C4=CC=CC=C4)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)(SC3=NN=NN3C4=CC=CC=C4)Cl)C(C)(C)CC

InChI

InChI=1S/C40H51ClN6O4S/c1-10-38(6,7)27-22-23-32(31(25-27)39(8,9)11-2)51-24-16-21-33(48)42-28-17-15-18-29(26-28)43-35(50)40(41,34(49)37(3,4)5)52-36-44-45-46-47(36)30-19-13-12-14-20-30/h12-15,17-20,22-23,25-26H,10-11,16,21,24H2,1-9H3,(H,42,48)(H,43,50)