4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N3O2S/c24-15-17-5-7-18(8-6-17)16-29-21-4-2-1-3-20(21)23(28)26-13-11-25(12-14-26)22(27)19-9-10-19/h1-8,19H,9-14,16H2