2-[4-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[4-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[4-(2-isobutoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]thiazole-5-carbonitrile CAS Name: 2-[4-[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-[4-[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[4-(2-isobutoxy-5-mesyl-benzoyl)piperazino]thiazole-5-carbonitrile Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

InChI

InChI=1S/C20H24N4O4S2/c1-14(2)13-28-18-5-4-16(30(3,26)27)10-17(18)19(25)23-6-8-24(9-7-23)20-22-12-15(11-21)29-20/h4-5,10,12,14H,6-9,13H2,1-3H3