2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-isobutyrylpiperazine-1-carbonyl)phenyl]thio]benzonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O2S/c1-16(2)21(26)24-11-13-25(14-12-24)22(27)18-8-4-6-10-20(18)28-19-9-5-3-7-17(19)15-23/h3-10,16H,11-14H2,1-2H3