2-[4-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2-amino-2-oxo-ethyl)sulfanylbenzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[2-[(2-amino-2-oxoethyl)thio]phenyl]-oxomethyl]-1-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(2-amino-2-keto-ethyl)thio]benzoyl]piperazino]-N-(4-fluorophenyl)acetamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H23FN4O3S/c22-15-5-7-16(8-6-15)24-20(28)13-25-9-11-26(12-10-25)21(29)17-3-1-2-4-18(17)30-14-19(23)27/h1-8H,9-14H2,(H2,23,27)(H,24,28)