4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(2-furoyl)piperazine-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H21N3O3S/c25-16-18-7-9-19(10-8-18)17-31-22-6-2-1-4-20(22)23(28)26-11-13-27(14-12-26)24(29)21-5-3-15-30-21/h1-10,15H,11-14,17H2