N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[3-(methylthio)propanoyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-29-17-13-22(28)25-15-11-19(12-16-25)26-20(10-14-23-26)24-21(27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,14,19H,5,8-9,11-13,15-17H2,1H3,(H,24,27)