7-(4-methylsulfanylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-3-yl-heptanenitrile

Systemtic Name: 7-(4-methylsulfanylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-3-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(4-methylsulfanylphenoxy)-6-piperazin-1-yl-2-(3-thienyl)heptanenitrile CAS Name: 7-[4-(methylthio)phenoxy]-6-(1-piperazinyl)-2-propan-2-yl-2-(3-thiophenyl)heptanenitrile IUPAC Name: 7-(4-methylsulfanylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-3-ylheptanenitrile Traditional Name: 2-isopropyl-7-[4-(methylthio)phenoxy]-6-piperazino-2-(3-thienyl)enanthonitrile Formula: C25H35N3OS2 MolecularWeight: 457.6949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)SC)N2CCNCC2)(C#N)C3=CSC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)SC)N2CCNCC2)(C#N)C3=CSC=C3

InChI

InChI=1S/C25H35N3OS2/c1-20(2)25(19-26,21-10-16-31-18-21)11-4-5-22(28-14-12-27-13-15-28)17-29-23-6-8-24(30-3)9-7-23/h6-10,16,18,20,22,27H,4-5,11-15,17H2,1-3H3